From: Brian Bennion (brian_at_youkai.llnl.gov)
Date: Fri Jan 23 2004 - 11:15:30 CST
On Fri, 23 Jan 2004 ivan.vinogradov_at_utoronto.ca wrote:
> Hello All,
>
> I am currently trying to minimize a collagen model.
> Unfortunately (for minimization) it has a rather large number of HYP residues
> in it.
> Neither top_*.inp nor par_*.inp files available from charmm website seem to
> contain HYP data.
> Search on the web netted no sufficient results.
> I have found a top_hyp.inp file in this m-list archive but now NAMD complains
> about missing bonds in par*.inp file.
> What would be a solution to the problem?
Easy
Measure the bond lengths in the structure and add them to the par.inp
file!!
Regards
Brian
>
> Cheers, Ivan.
>
>
*****************************************************************
**Brian Bennion, Ph.D. **
**Computational and Systems Biology Division **
**Biology and Biotechnology Research Program **
**Lawrence Livermore National Laboratory **
**P.O. Box 808, L-448 bennion1_at_llnl.gov **
**7000 East Avenue phone: (925) 422-5722 **
**Livermore, CA 94550 fax: (925) 424-6605 **
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