[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 

More information about the gromacs.org_gmx-users mailing list