Re: about rigid bonds

From: Brian Bennion (brian_at_youkai.llnl.gov)
Date: Tue Jan 18 2005 - 10:29:19 CST

Hello,

If you read the topology file carefully, you will see notes the say the
3bond system is needed with shake.

Regards
Brian

On Mon, 17 Jan 2005, mashaojie163 wrote:

> Dear Sir:
> I am not sure to something about rigids bonds. I find there are 2 kinds topology for TIP3p water(2 bonds and 3 bonds) in top file(top_all_27_prot_lipid.inp). Should I use 3 bonds topology for Tip3p if I use rigids bonds(shake)?

*****************************************************************
**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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