[gmx-users] constraint function

Berk Hess gmx3 at hotmail.com
Thu Oct 28 09:53:30 CEST 2004

>From: Y U Sasidhar <sasidhar at chem.iitb.ac.in>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: "gmx-users at gromacs.org" <gmx-users at gromacs.org>
>Subject: [gmx-users] constraint function
>Date: Mon, 25 Oct 2004 17:42:07 +0530
>Similar to distance restraints, I want the simulation to satisfy a function 
>of distances, say,  f(d1,d2,...,dN)-C=0
>How do I do this ?

This is not a well posed problem for N>1.
There is one equation and there are N unkowns.
Unless you have more restrictions...


Talk with your online friends with MSN Messenger http://messenger.msn.nl/

More information about the gromacs.org_gmx-users mailing list