Hello everyone, I want to use harmonic wall model in gromacs. So, I have generated an input file using charmm-gui and and using its production file (production.mdp) to run the simulation but i am getting that how can use harmonic wall model in it. My want to make gap between beta-barrel where i want to open up barrel by distorting the bonds between first and last strand so that I can put new strand in between.
Please kindly help me for this query if anybody has any idea regarding this. Thank you -- Shashank Ranjan Srivastava Molecular Biophysics Laboratory Department of Biological Sciences, IISER-Bhopal, Madhya Pradesh -- 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.