Re: [gmx-users] user defined potential function for 1-4 interaction

2009-10-30 Thread M Hafizur Rahman
type 9? Thanks, M. H. Rahman - Original Message - From: Berk Hess To: Discussion list for GROMACS users Sent: Friday, October 09, 2009 10:02 AM Subject: RE: [gmx-users] user defined potential function for 1-4 interaction Hi, Unfortunately this is not possible. If you do

Re: [gmx-users] user defined potential function for 1-4 interaction

2009-10-09 Thread M Hafizur Rahman
Message - From: LuLanyuan To: gmx-users@gromacs.org Sent: Thursday, October 08, 2009 8:04 PM Subject: RE: [gmx-users] user defined potential function for 1-4 interaction Hi, As I remember, you can only use one table for 1-4 interactions. Don't know if it's changed in the latest

RE: [gmx-users] user defined potential function for 1-4 interaction

2009-10-09 Thread Berk Hess
, not separate Coulomb, dispersion and repulsion tables. Berk From: mhrah...@dal.ca To: gmx-users@gromacs.org Subject: Re: [gmx-users] user defined potential function for 1-4 interaction Date: Fri, 9 Oct 2009 09:48:19 -0300 I think there must be a way in gromacs to pass tabulated

Re: [gmx-users] user defined potential function for 1-4 interaction

2009-10-08 Thread M Hafizur Rahman
Hi all: I posted this earlier but did not get any help I really need to slove this issue. What should be the way to pass a formatted table for the 1-4 interaction for two or more different groups? Reading page 150 and 180 of manual 4.0, I understand user defined potential functions can be

RE: [gmx-users] user defined potential function for 1-4 interaction

2009-10-08 Thread LuLanyuan
Hi, As I remember, you can only use one table for 1-4 interactions. Don't know if it's changed in the latest version. Lanyuan From: mhrah...@dal.ca To: gmx-users@gromacs.org Subject: Re: [gmx-users] user defined potential function for 1-4 interaction Date: Thu, 8 Oct 2009 19:10:39 -0300