Re: [gmx-users] Distance restraint energy terms

ikhil *From:* nikhil damle *To:* jalem...@vt.edu; Discussion list for GROMACS users *Sent:* Mon, 8 February, 2010 10:14:10 AM *Subject:* Re: [gmx-users] Distance restraint energy terms I have already included the [distance_restraints] section in .top file. In principl

Re: [gmx-users] Distance restraint energy terms

equal for both pairs. Am I understanding correctly ? Regards, Nikhil From: nikhil damle To: jalem...@vt.edu; Discussion list for GROMACS users Sent: Mon, 8 February, 2010 10:14:10 AM Subject: Re: [gmx-users] Distance restraint energy terms I have already

Re: [gmx-users] Distance restraint energy terms

constant to be 1000 even though fac coloumn > 1. I wish to restrain the distance between on two atoms. From: Justin A. Lemkul To: Discussion list for GROMACS users Sent: Sat, 6 February, 2010 6:10:12 PM Subject: Re: [gmx-users] Distance restraint energy te

Re: [gmx-users] Distance restraint energy terms

nikhil damle wrote: Hi, I have applied distance restraints on my system during MD simulation through following options: "disre = simple" and disre_fc = 2000 in .mdp file. Now i wish to see the energy term corresponding to these restraints in principle to be written in .edr file. But g_energ

[gmx-users] Distance restraint energy terms

Hi, I have applied distance restraints on my system during MD simulation through following options: "disre = simple" and disre_fc = 2000 in .mdp file. Now i wish to see the energy term corresponding to these restraints in principle to be written in .edr file. But g_energy programme does not list