----------------------------------------
> Date: Mon, 28 Jan 2008 16:44:35 +0100
> From: [EMAIL PROTECTED]
> To: gmx-users@gromacs.org
> Subject: FEP : separating components of dgdl
>
>
> Hi,
>
> I would like to know if there is a way to see the values of each components
> (angles, dihedrals, Coulomb...) of dgdl when performing FEP, to check whether
> I correctly defined the topology of state B.
>
> Many thanks,
> Michael Bon
mdrun -sepdvdl
Berk.
_________________________________________________________________
Express yourself instantly with MSN Messenger! Download today it's FREE!
http://messenger.msn.click-url.com/go/onm00200471ave/direct/01/_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.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]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
