Hi everyone, I'm doing a TI calculation for a molecule that's of interest to me and the results after gmx bar processed the dhdl.xvg files aren't so good at certain points so I want to add some lambda values around the problematic ones and I was wondering if this means I have to do the entire set all over again (cause I need to input a new lambda vector) or can I just add several mdps for the new lambda values and let gmx bar work them along with the rest of the output is ok?
Thanks in advance, Yoav -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
