[gmx-users] deformation in cnt
atila.petrosian at gmail.com
Wed Dec 11 09:39:20 CET 2013
Thanks for your reply.
After energy minimization, all carbon atoms are in true position,
inside box but again, both ends of cnt were deformed, same problem I
had before I add bond length to the length of CNT in z dimension of box.
You mentioned " possibly poor input geometry ". Please tell me how to
obtain better input geometry.
I confused. How to solve this problems?
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