On Thu, Nov 21, 2002, sara nunez wrote:
>
> We are trying to load a parameter file in leap which contains all the
> special parameters for our non-standard atoms.
> The problem is that leap recognises the bonds, dihedrals, etc. in out .dat
> file, but not the atoms types! (and the atom types ARE in the .dat file)
> We were wondering where we may have gone wrong.
We would need to see the files you are referring to. From the data given
above, I doubt that anyone could be expected to figure out what is wrong.
It sounds like a formatting problem in the files to me.
..regards...dac
--
==================================================================
David A. Case | e-mail: case_at_scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA | http://www.scripps.edu/case
==================================================================
Received on Thu Nov 21 2002 - 08:13:38 PST
