Hello community, I have a general question about mixing force fields. I want to try to use CGenFF to model the drug and I wanted to use CHARMM for the solvent. I see the general advice given online is to always use only one forcefield but I know CGenFF was developed off CHARMM but specifically for drugs. If anything, I would like to try it to see how different results are from just using CGenFF. How would one go about using two forcefields on your topology? For example below, would one simply add the non-default FF to the default FF?
; File 'topol.top' was generated ; By user: Administrator (500) ; On host: fabian-3bef2d6a ; At date: Fri April 1st 02:59 PM 2011 ; ; This is your topology file ; DRUG SOLUTION w/ Ethanol ; Include forcefield parameters #include "Charmm.ff" #include "Cgenff.ff" **Thanks for everyones help. -- Best regards, Fabian F. Casteblanco Rutgers University -- Chemical Engineering PhD Student C: +908 917 0723 E: fabian.castebla...@gmail.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
