Charmm22 force field for DNA
- From: songyunlong <songyunlong \\at// 263.net>
- Organization: smmu
- Subject: Charmm22 force field for DNA
- Date: Tue, 5 Feb 2002 19:16:40 +0800
Dear Computational Chemsitry Listers:
Recently,I met with a difficult problem.I want to run a MCSS job to investigate
the active site of a protein-DNA complex.However,the MCSS job requires the force
field must be charmm22 force field. Then I assign the charmm22 force field to
the protein-DNA complex,however,some nitrogen atoms of DNA,such as N3,N7, are
not parameterized by charmm22 force field.I wonder whether DNA has been
parameterized by charmm22 force field.In my opinion,as a famous macromolecular
force field,CHARMM should have parmaterized for DNA as well as protein.How can I
settle this problem?
How can I parameterize DNA with charmm22 force field? Could you please kindly
give me any suggestions on this problem?
Best wishes to you!
Song Yunlong,Ph.D
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Dept of med chem
School of pharmacy
Sec Mil Med Univ
Guohe Road,325
Shanghai,200433
E-mail:songyunlong \\at// 263.net
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