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
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