From: dongsheng lei (laidongshengs_at_gmail.com)
Date: Wed Oct 31 2007 - 04:26:16 CDT
I try to optimize a protein-lipid structure with namd . But there are
some unknown residues that I canot find the parameters of them .For
example I canot find the parameters of structure -CH2-O-CH2- in
tetraethylene glycol(resname PG4,it can be found in the pdbdatebase of
hic-up).Although I can generate parameters of them with software "xplo2d",
but all the spring constants of bonds is automaticly set to 1000 which I
think are not suit for namd.
How can I get unknown residues' parameters for namd?
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