[gmx-users] g_hbond

David van der Spoel spoel at xray.bmc.uu.se
Wed Oct 9 17:57:00 CEST 2002

On Wed, 9 Oct 2002, Yuguang Mu wrote:

>Dear Everyone,
>In using g_hbond, can I  define some special atom types or names as HB doner 
>or acceptors, by default, the g_hbond only knows O, N, OH, NH.
>Is it possible ?
It is not built in I'm afraid. Check the source code around routine

Groeten, David.
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel

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