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 parameter continuation = yes in npt.mdp for restarting after
NVT, but I am getting this warning
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 parameter
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
On Tue, May 25
-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
On Tue, May 25, 2010 at 2:32 PM, 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 continuation = no . grompp is not recognizing
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