[gmx-users] non protein input
Lambert van Eijck
eijck at iri.tudelft.nl
Wed Aug 25 16:12:20 CEST 2004
Hi,
I'd like to do MD on polymers. The pdb2gmx program complains about unknown
residues and 'UNK' doesn't seem to be in the database. I take it, it's
not usefull to add this type (?).
I'm not sure whether I should try Gromacs on non-proteins. Can someone
advise me? I've tried the server on the web to convert PDBs to gromacs,
but there are to many atoms in my models.
Babel will convert into Gromos input, but then I'm not sure how to create
a .top file, as I just skipped pdb2gmx.
I've searched the mailing list but, couldn't find any references to this
(basic) questions, except for the web server.
Can I get Gromacs running an MD on polymers?
thanks in advance,
Lambert van Eijck
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