RE: [gmx-users] Problem with tabulated potentials for 3 different atoms

-0300 To: gmx-users@gromacs.org Subject: [gmx-users] Problem with tabulated potentials for 3 different atoms I'm trying to use tabulated potentials for a very simple system: a polymer chain with only 3 kind of atoms: A, B and C, all of it with zero charge. A--(B)n--C The only interactions

[gmx-users] Problem with tabulated potentials for 3 different atoms

Berk: Thanks for the help, and thanks too to the other members of the list who helped me. My simulation is working now with some energy problems, but this is another problem not related to the software. The missing space characters were a typing mistake. About drugs and other subjets of your

RE: [gmx-users] Problem with tabulated potentials for 3 different atoms

From: mrvartore...@gmail.com Date: Tue, 20 Apr 2010 06:33:09 -0300 To: gmx-users@gromacs.org Subject: [gmx-users] Problem with tabulated potentials for 3 different atoms Berk: Thanks for the help, and thanks too to the other members of the list who helped me. My simulation is working

[gmx-users] Problem with tabulated potentials for 3 different atoms

I'm trying to use tabulated potentials for a very simple system: a polymer chain with only 3 kind of atoms: A, B and C, all of it with zero charge. A--(B)n--C The only interactions that accounts are AB, AC, BB and CC, so in my mdp file I have writen: coulombtype = user vdw-type    = user

Re: [gmx-users] Problem with tabulated potentials for 3 different atoms

Dear Martin As Mark has already told you - if you have a problem with gromacs email the list and wait for a reply. Don't just email people you don't know from Adam and expect them to reply because you are in a rush. The file that you have read from the mailing list contains everything I know