RE: [gmx-users] Restarting after NVT: continuation error

2010-05-25 Thread VANDANA KUMARI
Subject: Re: [gmx-users] Restarting after NVT: continuation error VANDANA KUMARI wrote: > Hi Amit, > > thanks for the reply. I am using gen_vel = no in my mdp file.but I am > wondering why I am getting warning message when I am using "continuation > = yes" or "cont

Re: [gmx-users] Restarting after NVT: continuation error

2010-05-25 Thread Justin A. Lemkul
-- *From:* gmx-users-boun...@gromacs.org [gmx-users-boun...@gromacs.org] on behalf of Amit Choubey [kgp.a...@gmail.com] *Sent:* Tuesday, May 25, 2010 5:51 PM *To:* Discussion list for GROMACS users *Subject:* Re: [gmx-users] Restarting after NVT: continuation error

RE: [gmx-users] Restarting after NVT: continuation error

2010-05-25 Thread VANDANA KUMARI
s, -- Vandana Kumari From: gmx-users-boun...@gromacs.org [gmx-users-boun...@gromacs.org] on behalf of Amit Choubey [kgp.a...@gmail.com] Sent: Tuesday, May 25, 2010 5:51 PM To: Discussion list for GROMACS users Subject: Re: [gmx-users] Restarting after NVT: continuation

Re: [gmx-users] Restarting after NVT: continuation error

2010-05-25 Thread Amit Choubey
On Tue, May 25, 2010 at 2:32 PM, VANDANA KUMARI < kumar...@buckeyemail.osu.edu> wrote: > > Hello Gromacs Users, > > I am trying to make tpr file for NPT equilibration after NVT equilibration > using > > grompp -f npt.mdp -c nvt.gro -t nvt.trr -p topol.top -n index.ndx -o > npt.tpr > > I am using