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 continuation as parameter. Am I doing something wrong?
Thanks, -- Vandana Kumari ________________________________ From: [email protected] [[email protected]] on behalf of Amit Choubey [[email protected]] 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 <[email protected]<mailto:[email protected]>> 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 " continuation = yes " in npt.mdp for restarting after NVT, but I am getting this warning massage: WARNING 1 [file npt.mdp, line unknown]: Unknown left-hand 'continuation' in parameter file well to continue why dont you use the same velocities ; just say gen_vel = no amit Please help me with this issue. Thank you -- Vandana -- gmx-users mailing list [email protected]<mailto:[email protected]> http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]<mailto:[email protected]>. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
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