[gmx-users] Re: Amber to gromacs topology conversion for non-amino acid

2010-10-18 Thread Justin A. Lemkul
Please keep all Gromacs-related correspondence on the gmx-users list. As I have said many times, I am not a private tutor. I am CC'ing this message to the list; please continue all further discussion there. There are a number of topology-generating scripts on the Gromacs website. Have a l

[gmx-users] Re: Amber to Gromacs

2007-10-13 Thread Vojtěch Spiwok
Dear all, I hvae used ANTECHAMBER & GAFF of Amber generate a .prmtop and .prmcrd of a small molecular(XK263, a inhibitor of HIV-1 PR). I want to use ffamber99 in Gromacs-3.3.1 to do a simulation of it, but I can't get the force field of the molecular used in Gromacs. On the Homepage of A