Should i try instead different pull MD(changing the pbcatom, CNT's COM, velocity,force) , in order to get new configuration for an umbrella sampling simulation and a PMF in z Axis calculation, until i´ll get no rotation in the CNT? or can i used this MD, to get the configuration for the Umbrella Sampling??
Thank you for your help and patience Andrés Ortega -- 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.
