[gmx-users] atom types @ bonded parameters
chiendarret at yahoo.com
Fri May 18 16:03:46 CEST 2007
New to the list, aimed at installing gromacs on Linux
Debian amd64 dual-core-opterons for parallel
execution, I would appreciate indications where (not
having yet installed gromacs) to find:
---Atom types list.
---Bonded parameters list.
---Any tool to generate new bonded parameters.
I am well equipped of QM suites and have also some
experience with classical MD. My problem was always
lack of bonded parameters and atom types that I need
for my studies.
(This is a project of mine of long date, and I also
had exchange of emails with the Debian gromacs
maintainer; though, it is only now that I have the
time to try to start).
____________________________________________________________________________________Pinpoint customers who are looking for what you sell.
More information about the gromacs.org_gmx-users