Dear All, I have a complex A-B (not covalent bonded)
I want to use oplsaa.ff atom types original for A and all are in .top files in which some parameters are changed and I have another directory with modified just atomtype names oplsaa.ff files (for B) that is ffbonded.itp, ffnopnbonded.itp, atomtypes.atp are modified with all the atomtype names with lowercases thinking that it will avoid over riding and mixing of parameters (as some of angles and dihedrals are common). for example (there are many) WARNING 4 [file A.top, line 342]: Overriding Ryckaert-Bell. parameters. showing old and new values. The old values are from modified oplsaa.ff/ffbonded.itp in which I have already used lowercase atometype names. Using gmxdump I can see system B is using modified oplsaa.ff. So does this mean Gromacs is case insensitive as I get warning even I used lowercase letters? regards, -- gmx-users mailing list [email protected] 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
