gurlie at glenan.urbb.jussieu.fr
Thu Jan 4 07:04:06 EST 1996
I am not familiar with CHARMm, but I've worked with JUMNA and X-PLOR and
had some problems with PDB files. I had generated a PDB file with JUMNA
and wanted to make a molecular dynamics simulation with X-PLOR, but
X-PLOR coouldn't read my JUMNA PDB becaude nucleotide libraries are
different between JUMNA and X-PLOR.
If you can, get an example of a CHARMm PDB file and make sure yours can
be red. If not you'll have to modify it....
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