[gmx-users] Re: how to write the correct top file for membrane protein

2007-11-27 Thread liang
t: gmx-users Digest, Vol 43, Issue 96 Message: 4 Date: Mon, 26 Nov 2007 12:24:31 +0800 From: Mark Abraham <[EMAIL PROTECTED]> Subject: Re: [gmx-users] Re: how to write the correct top file for membrane protein To: Discussion list for GROMACS users Message-ID: <[EMAIL PROTECTED]> Conten

Re: [gmx-users] Re: how to write the correct top file for membrane protein

2007-11-25 Thread Mark Abraham
liang wrote: Dear Mark, Thanks for your advice, but from my understanding, Berger's force field is based on OPLS/Amber. Lipid itp files from Tieleman's website just use the atom type definitions from GROMOS87. And GROMOS87 is out of fashion now. So thats why i think it would be better to use

[gmx-users] Re: how to write the correct top file for membrane protein

2007-11-25 Thread liang
Dear Mark, Thanks for your advice, but from my understanding, Berger's force field is based on OPLS/Amber. Lipid itp files from Tieleman's website just use the atom type definitions from GROMOS87. And GROMOS87 is out of fashion now. So thats why i think it would be better to use OPLS for prote