subject:"Re\: \[gmx\-users\] OPLS \+ ffgmx"

Re: [gmx-users] OPLS + ffgmx

2006-09-06 Thread Alok

to you later as I go about it. Thanking you all again, Regards, Alok. - Original Message - From: Mark Abraham [EMAIL PROTECTED] To: Discussion list for GROMACS users gmx-users@gromacs.org Sent: Wednesday, September 06, 2006 7:47 AM Subject: Re: [gmx-users] OPLS + ffgmx Hi all, I am

Re: [gmx-users] OPLS + ffgmx

2006-09-05 Thread chris . neale

I posted the procedure and not the modified files mostly because this is my modification of somebody else's files. Without permission, it is not reasonable for me to redistribute them. In order to both help you and still treat the originals with due respect, I have attached snippets that will help

Re: [gmx-users] OPLS + ffgmx

2006-09-05 Thread Mark Abraham

Hi all, I am trying to do a membrane protein simulation. I want to use OPLS - AA force field for protein and ffgmx (modified ffgmx force filed with lipid parameters from user contribution section ) force field for POPE lipids. Is it is possible and advisable to use two different force