Thank you Justin For the Help, I was wondering should i use a stronger force?,
My idea is to get the PMF of the SWCNT getting closer to the ion channel, should i run a diferent pull MD in order to get hte configuration for the umbrella sampling , or should i try a different force, or just put the SWCNT close to the ion channel, and move away with another Pull MD ? Thank you for your time and help 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.
