Re: [gmx-users] Force groups?

2009-05-11 Thread Chze Ling Wee
lop...@gromacs.org > CC: > Subject: [gmx-users] Force groups? > > Hi - I wonder if it is possible in Gromacs3/4 to write out the forces > acting on a peptide due to its interaction with different components in the > system e.g. waters, lipids, etc? If not, could someone comment on h

[gmx-users] Force groups?

2009-05-11 Thread Chze Ling Wee
Hi - I wonder if it is possible in Gromacs3/4 to write out the forces acting on a peptide due to its interaction with different components in the system e.g. waters, lipids, etc? If not, could someone comment on how difficult to would be to modify the source code to do this? Many thanks Chze Ling

[gmx-users] Question on [ angles ] in topology file?

2007-05-04 Thread Chze Ling Wee
and x = 270 equivalent? Cheers Chze Ling Wee ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subs

[gmx-users] Errors compiling Gromacs 3.2.1 on Mac OS X 10.4.8 (Intel Mac)

2006-11-25 Thread Chze Ling Wee
Error 1 make[1]: *** [all] Error 2 make: *** [all-recursive] Error 1 ==== Can anyone help? Cheers Chze Ling -- Chze Ling Wee Department of Biochemistry University of Oxford South Parks Road Oxford OX1 3QU U.K. ___