[gmx-users] It's spinning!

[Anton Feenstra]

David van der Spoel wrote:

> On Sat, 27 Dec 2003, [koi8-r] "Peter Mamonov[koi8-r] "  wrote:
> 
> 
>>Thank you for your answer David! I've checked my .log file and found there lines:
>>
> 
> That looks OK. Please check the kinetic energy of rotation and translation 
> with g_traj. Do you happen to have an index file with incorrectly defined 
> system group?

Have you tried nstcomm = -1 ?


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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