[gmx-users] David, how to make a rigid molecule?

xieyh at hkusua.hku.hk xieyh at hkusua.hku.hk
Fri Jul 22 10:10:04 CEST 2005


Dear David:

In my system, I have a molecule, and I need this molecule to behavior as a rigid
one. In other words, this molecule can move or rotate, but the relative
position of two internal atoms and the relative angle between three neighboring
atoms etc. are fixed. 

How to realize it under Gromacs? 

Thanks in advance!


Best regards,
Xie YH 






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