Dear Gmx Users, Do you know or can you suggest some results based on the comparison of the force constant in Umbrell Sampling? Any literature?
As far as I understand when you use the same staring coordinates (from the same pulling simulation) for windows but you just change the force constant (e.g. from 500 to 2000 kJ/mol nm2) you should increase number of windows (for f=2000) as smaller force constant will cover wider neigboruring distances - that makes sense. I am curious whether the final result will be the same? I guess with stronger force it will converge faster but more windows are required. is it the only one difference? Thanks Steven -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * 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
