[gmx-developers] New Energy Entry

David van der Spoel spoel at xray.bmc.uu.se
Mon Mar 11 16:49:48 CET 2002

On Mon, 11 Mar 2002, Mehmet Suezen wrote:

>Dear Gromac Developers,
>In first tests, it appears to be I've added new non-bonded potential
>type into code. 
>I could see my parameters and new selection in .tpr file with gmxdump.
>After mdrun, I couldn't see new potential energy. And new loops
>compiled without problems. What may went wrong? 
>In src/gmxlib/enxio.c I've seen do_enxnms funtion and in
>function list_ene calls do_enxnms from src/gmxlib/enxio.c, enm[]. 
>Any idea would be precious.\

checkout mdlib/mdebin.c

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://zorn.bmc.uu.se/~spoel

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