Charles | 20 Mar 2006 15:59

Re: CMAP for Charmm22 in X-Plor


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

Gmane