Re: [gmx-users] Force field parameters for the heme in ff53a6

2010-08-04 Thread Justin A. Lemkul
It appears that the parameters in 53a6 are unchanged relative to 43a1, the reference for which is the GROMOS manual. Unfortunately, you have to pay the licensing fee to obtain the manual. There are certainly several literature references for various aspects of the GROMOS functional form and

[gmx-users] Force field parameters for the heme in ff53a6

2010-08-04 Thread Arthur Roberts
Hi, All, Does anyone know where the force field parameters for the heme in the ff53a6 force field were obtained? Much appreciated, Art Art Roberts 7254 Shoreline Dr. #130 San Diego, CA 92122 cell: 206-850-7468 email: aroberts99...@yahoo.com skype=aroberts92122 -- gmx-users mailing list