[gmx-users] total energy
lpulagam at uos.de
Wed Oct 29 12:47:01 CET 2003
Dear Gromcas users,
i am simulating an system with distance restriants. the total energy of
the system is 5*10^5(ex: 581219).
1.How can i get my system to its minimum energy.
2. if i do simulated annealing, am i need to do it with energy minimisation or
with md run.
3. in simulated annealing once the temp coming down to 0k (zero_temp_time),
the system is not heating again.
4. what should i do for slow cooling ( some of the mail list says that slow
cooling is better.
thanks in advance for your suggestions.
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