Xplorers,
I am attempting to carry out NOE distance restrained molecular dynamics
(RMD) calculations, to determine the solution structure of a DNA/glycopeptide
antibiotic complex. The solution structure of the glycopeptide antibiotic
has previously been determined, via distance geometry/simulated annealing
calculations, using topology and parameter files generated from topallhdg.pro
and parallhdg.pro. Is the force field, specified by these files, compatible
with the force field, specified by topallhdg.dna/parallhdg.dna, in RMD
calculations of the complex, in which all the standard nonbonded
interactions are included?
Thanks in advance,
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Eugene F. DeRose Department of Chemistry
Manager NMR Laboratory University of Wisconsin-Milwaukee
P.O. Box 413
Milwaukee, WI 53211-3029
ederose at csd.uwm.edu
voice: 414-229-5896 fax: -5530
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