Hello everybody, I want to build a topology for a lipid to use the parameters reported by Jämbeck and Lyubartsev
Jämbeck, Joakim P. M., y Alexander P. Lyubartsev. «Derivation and Systematic Validation of a Refined All-Atom Force Field for Phosphatidylcholine Lipids». J. Phys. Chem. B 116, n.o 10 (2012): 3164-79. doi:10.1021/jp212503e. but the modified forcefield provided by the authors is not included by default in Gromacs (I am still using version 4.5.4). How could I build a topology that uses this modified forcefield? I have tried acpype, but it uses atomtypes different from the ones I want. Best regards Victor -- 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.
