Dear All, I have a glyceryl monooleate 100 molecule assembly. I want to pull a peptide like molecule through it. I have obtained the forcefield files from *Boeckmann, Rainer website.* I followed the Bevan Lab KAlp15 tutorial to build topology of lipids but got stuck as the force field obtained from Rainer website and put in the working directory, the path to working directory does not appear in the list of forcefields. i prepared my molecule using 54a7 forcefield implemented in ATB server. i got the itp files and prepared the gro file using editconf My question is to anyone who has done the glycerol simulation using gromacs. please help with the exact procedure to develop the simulation files. Should I add the 54a7 forcefield with to the OPLSAA updated forcefield by Prof Rainer or vice versa? I also have a peptide like molecule to pull through the GMO membrane. Any one can help guide through this?
Thank you in anticipation Ayesha -- 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.