Hi
I want to check some of my gromacs results using another computer
program which is set up to read in LJ 12-6 parameters only.
I have a set of 9-6 LJ parameters. Can gromacs interconvert LJ-9-6 to
12-6? If not can anyone point me in the right direction to a paper,
bit of code etc.
Changing the source code of the other program to read in LJ 9-6 is
something I'd rather avoid if there is another solution.
Thanks
--
The University of Edinburgh is a charitable body, registered in
Scotland, with registration number SC005336.
--
gmx-users mailing list [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [email protected].
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
