[gmx-users] temperature too low

David van der Spoel spoel at xray.bmc.uu.se
Tue Feb 26 18:58:40 CET 2002

Since your temperature is exactly two/thirds of what it should be, it 
could be that you have a problem with the number of degrees of freedom. 
Please check whether it is 6 or 9 per molecule (it's printed in md.log for 
the total system). You have 6 degrees of freedom for a rigid water, 9 for 
a flexible.

Otherwise try to change the reaction0field into a cut-off and retry.

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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