20 Mar 2006 15:59
Re: CMAP for Charmm22 in X-Plor
<Charles <at> Schwieters.org>
2006-03-20 14:59:34 GMT
2006-03-20 14:59:34 GMT
Hello Maria-- > I wonder if X-plor can work with Charmm22 protein force field corrected by > cmap? I've downloaded the latest version of X-plor, but couldn't find these > particular parameter and topology files in toppar directory. I tried to use > toppar files with c32b1 release of Charmm including the cmap extension but X- > plor failed to use them. I believe they have a slightly different structure. Xplor-NIH does not support CMAP, and we have no plan to implement it in the near term. We would gladly accept contributions, though. regards-- Charles
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