Dear GROMACS users, I have been working on a CHARMM36 POPC bilayer and in order to accelerate the simulation we want to use virtual sites for the hydrogen atoms in the lipid.
We mainly want to do it for the carbon tails of the lipids. I have checked the different type of virtual sites in the GROMACS manual (3fd, 3fda, 3out, N) but none of them seems to correspond to the CH2 groups in the carbon chains. It would require an out of plane virtual site with fixed length (so using normalized vector). Can you help me with that ? Thanks, Bastien Loubet -- View this message in context: http://gromacs.5086.n6.nabble.com/virtual-sites-with-CHARMM-lipids-tp5003962.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
