Re: [gmx-users] 1-4 scaling factor

See chapter 5 Mark On May 17, 2013 8:25 AM, "tarak karmakar" wrote: > Dear All, > > How do I incorporate the 1-4 scaling factor ( e.g., 1.0 for CHARMM and > 0.833 in AMBER) in gromacs? Or, is it internally taken care of by gromacs > while specifying the -ff flag? > > NAMD input file uses the fol

[gmx-users] 1-4 scaling factor

Dear All, How do I incorporate the 1-4 scaling factor ( e.g., 1.0 for CHARMM and 0.833 in AMBER) in gromacs? Or, is it internally taken care of by gromacs while specifying the -ff flag? NAMD input file uses the following keyword 1-4scaling 1.0 (for charmm force field) Thanks, Tara