Thank you guys for your help. I appreciate it. On Thu, Oct 6, 2011 at 1:05 PM, Fabian Casteblanco <[email protected]> wrote: > Hello Justin, > > I have a question about your tutorial. If I want to mutate one small > group of a molecule, I would have to not provide 'couple_lambda0' and > 'couple_lambda1', correct? I would essentially have to follow sec > 5.7.4 in the Gromacs manual and I have to actually provide all state A > variable and all state B variables. Gromacs would calculate the new B > state parameters for bond lengths, angles, etc, correct? Are there > any other major differences to account for? > > -- > Best regards, > > Fabian F. Casteblanco > Rutgers University -- > E: [email protected] >
-- Best regards, Fabian F. Casteblanco Rutgers University -- Chemical Engineering PhD Student C: +908 917 0723 E: [email protected] -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists
