Dear David, I'd like to simiulate small molecules MD. However, It is difficult to assign atom type, etc. Actually PRODRG is useful. But it is limited to assign atom type. In amber homepage, I found GAFF. I know AMBER/FF for GROMACS. But I cannot find GAFF for GROMACS. GAFF has parameters for almost all the organic molecules. So I find GAFF for GROMACS.
MAKOTO ISHIKAWA > -----Original Message----- > From: David van der Spoel [mailto:[EMAIL PROTECTED] > Sent: Wednesday, March 15, 2006 4:54 PM > To: [EMAIL PROTECTED]; Discussion list for GROMACS users > Subject: Re: [gmx-users] GAFF > > > 日産化学 石川誠 wrote: > > Hi all, > > > > I'm searching forecefield for a small molecule. > > Dose anyone know how to get GAFF for GROMACS? > > > more info please > > > Thank you for your time. > > > > MAKOTO ISHIKAWA > > > > > > _______________________________________________ > > gmx-users mailing list [email protected] > > http://www.gromacs.org/mailman/listinfo/gmx-users > > Please don't post (un)subscribe requests to the list. Use the > > www interface or send it to [EMAIL PROTECTED] > > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > > > -- > David. > ______________________________________________________________ > __________ > David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group, > Dept. of Cell and Molecular Biology, Uppsala University. > Husargatan 3, Box 596, 75124 Uppsala, Sweden > phone: 46 18 471 4205 fax: 46 18 511 755 > [EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se > ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ > ++++++++++ > _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
