gmx-developers@gromacs.org

2

replies

Non-periodic interaction in a periodic box

started 2014-08-20 20:21:35 UTC

2014-08-21 12:54:59 UTC

Carsten Kutzner

2

replies

question about gromacs-5.0 code

started 2014-08-19 07:55:45 UTC

2014-08-19 10:18:53 UTC

Mark Abraham

6

replies

How to use TAU to profile GMX?

started 2014-08-13 09:29:44 UTC

2014-08-19 01:17:22 UTC

Berk Hess

6

replies

g_hbond OpenMP parallelization only for ACF

started 2014-08-16 06:16:18 UTC

2014-08-18 20:58:39 UTC

Bin Liu

0

replies

(no subject)

started 2014-08-18 15:19:09 UTC

2014-08-18 15:19:09 UTC

x***@sjtu.edu.cn

3

replies

FMM in GMX-5.x

started 2014-08-14 23:42:34 UTC

2014-08-17 07:52:46 UTC

Mark Abraham

8

replies

What is the best choice to profile

started 2014-08-06 20:58:03 UTC

2014-08-15 07:53:27 UTC

Theodore Si

2

replies

How to use gromacs library to write my own C/C++ analysis code??

started 2014-08-12 21:36:14 UTC

2014-08-12 23:05:14 UTC

Roland Schulz

4

replies

Help needed with tng_io library

started 2014-08-07 15:16:07 UTC

2014-08-12 13:16:31 UTC

Magnus Lundborg

4

replies

Debye formula (spherical averaging) in SAXS calculation !

started 2014-08-06 07:53:45 UTC

2014-08-08 13:15:47 UTC

Anjaiah Nalaparaju

1

reply

gromacs memory footprint

started 2014-08-08 12:07:12 UTC

2014-08-08 13:14:04 UTC

Berk Hess

2

replies

How to instrument GROMACS with Vampir Trace?

started 2014-08-04 10:28:05 UTC

2014-08-05 13:47:44 UTC

Semen Esilevsky

4

replies

Error occurs when compiling gromacs using vtcc

started 2014-08-01 14:09:19 UTC

2014-08-01 21:17:17 UTC

Mark Abraham

1

reply

TPI code with Verlet cut-off scheme in GROMACS-5.0

started 2014-07-30 17:13:59 UTC

2014-07-30 17:52:16 UTC

Berk Hess

1

reply

changes in filename option handling

started 2014-07-25 19:26:56 UTC

2014-07-27 09:55:31 UTC

Teemu Murtola

3

replies

Problem with Switch potential

started 2014-07-23 08:36:35 UTC

2014-07-24 05:51:14 UTC

Igor Leontyev

8

replies

Gromacs benchmark set

started 2014-06-30 18:50:10 UTC

2014-07-17 22:40:59 UTC

Szilárd Páll

8

replies

Brainstorming ideas for minimally painless incorporation of an MC barostat (later MC moves in general)

started 2014-07-14 19:05:41 UTC

2014-07-17 21:20:39 UTC

Shirts, Michael R. (mrs5pt)

7

replies

future of installed headers and libraries

started 2014-07-07 10:48:55 UTC

2014-07-16 00:59:15 UTC

David van der Spoel

3

replies

Slight issue with gmx insert-molecules man page

started 2014-07-05 17:45:52 UTC

2014-07-10 18:24:18 UTC

Vedran Miletić

1

reply

Building 5.0 on Cygwin x64

started 2014-07-09 15:37:02 UTC

2014-07-10 06:17:33 UTC

Roland Schulz

1

reply

Real variables

started 2014-07-09 21:40:31 UTC

2014-07-09 22:56:19 UTC

Erik Marklund

1

reply

Calculating shifted LJ potentials

started 2014-07-04 02:27:47 UTC

2014-07-08 23:40:33 UTC

Michael Lerner

2

replies

libxml2 detection problem (bug?)

started 2014-07-03 00:35:34 UTC

2014-07-03 04:04:41 UTC

Christoph Junghans

4

replies

possible bug connected to the velocity-Verlet integrator

started 2014-07-01 01:29:47 UTC

2014-07-01 18:07:55 UTC

Ullmann, Thomas

7

replies

random123 library portability issues

started 2014-05-30 15:43:29 UTC

2014-07-01 10:20:11 UTC

Alexey Shvetsov

19

replies

Gromacs 5 (rc1 tarball) on Windows

started 2014-06-27 02:28:25 UTC

2014-06-30 04:21:09 UTC

Roland Schulz

0

replies

GROMACS 5.0!

started 2014-06-30 01:53:59 UTC

2014-06-30 01:53:59 UTC

Mark Abraham

1

reply

Commit version of 5.0 rc1

started 2014-06-25 20:53:42 UTC

2014-06-25 21:03:30 UTC

Roland Schulz

1

reply

last drinks for release-4-6!

started 2014-06-18 17:34:48 UTC

2014-06-20 19:30:56 UTC

Mark Abraham