[gmx-users] Conversion CHARMM FF to Gromos54a7 FF

Dear all, I have a CHARMM all atoms force fields for a solid with limited atom types, and I want to convert them to Gromos54a7 force fields. Would you please confirm that below are the changes I should make to do so? 1. Combination rule # 2 is used in CHARMM whereas GROMOS which uses # 1, so, In

Re: [gmx-users] Conversion CHARMM FF to Gromos54a7 FF

On 1/14/19 11:28 AM, Salman Zarrini wrote: Dear all, I have a CHARMM all atoms force fields for a solid with limited atom types, and I want to convert them to Gromos54a7 force fields. Would you please confirm that below are the changes I should make to do so? 1. Combination rule # 2 is used