Re: [gmx-users] FEP for amino acid mutations

2010-06-21 Thread Matteo De Chiara
a LEU... Thank you for any hint you could give me! matteo > Date: Wed, 16 Jun 2010 15:17:30 +0200 > From: Matteo De Chiara > Subject: Re: [gmx-users] FEP for amino acid mutations. > To: gmx-users@gromacs.org > Message-ID: >         > Content-Type: text/plain; charset=ISO-8859-

Re: [gmx-users] FEP for amino acid mutations.

2010-06-16 Thread Matteo De Chiara
; > Subject: RE: [gmx-users] FEP for amino acid mutations. > To: Discussion list for GROMACS users > Message-ID: >        <89907ea1dcfb7548a431c13a270f9dd50ad84...@prk-exch-01.vcp.local> > Content-Type: text/plain; charset=us-ascii > > I would make a new residue in the .rtp

RE: [gmx-users] FEP for amino acid mutations.

2010-06-14 Thread Dallas B. Warren
I would make a new residue in the .rtp file. Catch ya, Dr. Dallas Warren Drug Delivery, Disposition and Dynamics Monash Institute of Pharmaceutical Sciences, Monash University 381 Royal Parade, Parkville VIC 3010 dallas.war...@pharm.monash.edu.au +61 3 9903 9167 -