[gmx-users] Problem with continuation of files using checkpoint files

Dear All, I am doing protein simulations using Gromacs4.0.2. For continuation or extension of runs, i am using tpbconv command. In the manual its given that for exact binary identical run, one needs to use checkpoint file with mdrun. So, for the tpbconv generated file when I am using checkpoint. I

RE: [gmx-users] Problem with continuation of files using checkpoint files

for serial NPT simulations. NVT and parallel NPT simulations are fine. I hope that 4.0.4, which fixes this, will be out soon. Berk Date: Thu, 12 Feb 2009 16:35:27 +0530 From: mon_sha...@research.iiit.ac.in To: gmx-users@gromacs.org Subject: [gmx-users] Problem with continuation of files using