[gmx-users] Re:total energy
Nuno R. L. Ferreira
nunolf at ci.uc.pt
Fri Oct 31 19:36:01 CET 2003
>>3. in simulated annealing once the temp coming down to 0k
(zero_temp_time),
>>the system is not heating again.
>Of course, because ref_t is 0k
Ups, this is not correct. I meant, at zero_temp_time the average temp will
be close to zero.
See Anton commentary.
Nuno
#######
Nuno Ricardo Santos Loureiro da Silva Ferreira
Grupo de Química Biológica
Departamento de Química
Faculdade de Ciências e Tecnologia
Universidade de Coimbra
3004-535 Coimbra
Portugal
Phone: +351 239 852080
Fax: +351 239 827703
www.biolchem.qui.uc.pt
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