2008/1/9, Berk Hess <[EMAIL PROTECTED]>: > > > > > ________________________________ > > Date: Wed, 9 Jan 2008 15:30:38 +0200 > > From: [EMAIL PROTECTED] > > To: [email protected] > > Subject: [gmx-users] Re: Targeted MD > > > > > > Ran Friedman wrote: > >>Dear Stanislav, > >> > >>AFAIK there's no "targeted MD" in GMX. You can run EDS or use the > >>flooding algorithm. > >> > >>Ran. > > > > Well, but (as I know from Manual, Ch. 6, p. 120) there is "approach to > do targeted MD" in GMX. > > Did you add position restraint to your protein > topology?
No, I did not. What group must be restrained therefore? Whole protein or whole protein except loop?
_______________________________________________ gmx-users mailing list [email protected] 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
