gmx-developers@gromacs.org

0

replies

A question about dielectric constant

started 2014-10-24 08:46:12 UTC

2014-10-24 08:46:12 UTC

刘凤海

7

replies

automated performance testing

started 2014-09-30 21:22:35 UTC

2014-10-24 02:43:30 UTC

Mark Abraham

2

replies

How to extract stored data in AnalysisData object?

started 2014-10-13 00:27:09 UTC

2014-10-19 09:56:50 UTC

Yunlong Liu

7

replies

Lennard Jones and Electrostatic energies.

started 2014-10-10 15:53:00 UTC

2014-10-15 17:57:44 UTC

IÑIGO SAENZ

10

replies

Regarding commit Implementation of WAXS/SAXS refinement in MD!

started 2014-08-22 10:51:48 UTC

2014-10-14 13:13:40 UTC

Alexander Björling

2

replies

Gromacs python api

started 2014-10-12 15:06:47 UTC

2014-10-13 17:51:53 UTC

Alexey Shvetsov

0

replies

The conserved En. calculation in v-rescale algorithm

started 2014-10-13 16:52:06 UTC

2014-10-13 16:52:06 UTC

执念

1

reply

Questions regarding neighbor searching (nsgrid_core function)

started 2014-10-11 01:08:51 UTC

2014-10-11 03:53:35 UTC

Mark Abraham

4

replies

Lambda dynamics

started 2014-10-09 15:54:42 UTC

2014-10-09 21:14:52 UTC

Shirts, Michael R. (mrs5pt)

2

replies

valgrind error on grompp

started 2014-10-03 19:49:34 UTC

2014-10-08 03:34:44 UTC

Roland Schulz

3

replies

Verlet kernel testing in 5.1

started 2014-10-01 00:50:07 UTC

2014-10-04 11:47:04 UTC

Teemu Murtola

0

replies

g_hbond -shell option

started 2014-10-02 21:06:36 UTC

2014-10-02 21:06:36 UTC

Thomas Evangelidis

2

replies

Problem with 4.6.x MPI, thread affinity, slurm and node-uneven task spread

started 2014-10-02 18:57:32 UTC

2014-10-02 19:46:16 UTC

Åke Sandgren

0

replies

policy on development on GROMACS branches

started 2014-09-30 22:30:28 UTC

2014-09-30 22:30:28 UTC

Mark Abraham

9

replies

ICC 14 support

started 2014-09-29 19:35:11 UTC

2014-09-30 21:34:01 UTC

Roland Schulz

7

replies

Possible bug in gmx

started 2014-09-28 14:18:55 UTC

2014-09-29 01:08:52 UTC

Alexey Shvetsov

0

replies

xdrfile buffer overrun / segfault with malformed xtc files

started 2014-09-26 04:48:28 UTC

2014-09-26 04:48:28 UTC

Robert McGibbon

2

replies

xdrfile 1.1.4 vs. 1.1.1

started 2014-09-19 17:55:02 UTC

2014-09-25 11:56:39 UTC

Jon Kapla

0

replies

gromacs.org_gmx-developers Digest, Vol 125, Issue 17

started 2014-09-25 03:46:41 UTC

2014-09-25 03:46:41 UTC

Ghadafi

6

replies

pull-geometry=position is no longer supported

started 2014-09-24 20:38:27 UTC

2014-09-24 23:08:36 UTC

Berk Hess

18

replies

upcoming downtime on Monday

started 2014-09-13 16:28:22 UTC

2014-09-23 08:32:42 UTC

Mark Abraham

0

replies

(no subject)

started 2014-09-19 16:24:52 UTC

2014-09-19 16:24:52 UTC

Apoorva Badaya

9

replies

Exclude specific nonbonded interactions during md rerun for Verlet

started 2014-09-12 18:26:13 UTC

2014-09-13 01:12:17 UTC

Bernd Doser

5

replies

Doubts to use Gromacs as Library

started 2014-09-06 00:25:24 UTC

2014-09-08 02:01:18 UTC

Claudio M. Soares

0

replies

Reminder about Gromacs user survey

started 2014-09-02 17:00:07 UTC

2014-09-02 17:00:07 UTC

Michael Shirts

0

replies

[gmx-users] Gromacs feature and usage survey

started 2014-08-26 16:39:22 UTC

2014-08-26 16:39:22 UTC

Mark Abraham

0

replies

Questions on how to use the gromacs API

started 2014-08-26 09:15:35 UTC

2014-08-26 09:15:35 UTC

Teemu Murtola

1

reply

nbnxn generation

started 2014-08-22 09:39:28 UTC

2014-08-22 17:07:03 UTC

Mark Abraham

1

reply

About dynamics loading balance

started 2014-08-21 21:21:28 UTC

2014-08-21 22:38:41 UTC

Roland Schulz

6

replies

question for gromacs-5.0 source code

started 2014-08-21 12:35:19 UTC

2014-08-21 20:59:34 UTC

Mark Abraham