[gmx-users] Force constant for distance restraints

Berk Hess gmx3 at hotmail.com
Thu Oct 21 13:08:44 CEST 2004

>From: Gaurav Porwal <gauravp at che.iitb.ac.in>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: GROMACS users <gmx-users at gromacs.org>
>Subject: [gmx-users] Force constant for distance restraints
>Date: Thu, 21 Oct 2004 15:45:44 +0530 (IST)
>Thanks for replying back. I'm very much aware that disre_fc can be used to
>specify a force constant but I thought that there might be some pre-fixed
>value which is used as default if nothing is specified. I presume now
>that's not the case and everytime we specify, say
>disre = simple , we will need to give something as disre_fc.
>What are the typical values of disre_fc which are used for NMR

Default is 1000, as int the manual.
This is the typical value.


Play online games with your friends with MSN Messenger 

More information about the gromacs.org_gmx-users mailing list