VMD-L Mailing List

From: zoran (zmatovic_at_kg.ac.rs)
Date: Mon Dec 15 2014 - 17:57:28 CST

VMD people,

Christopher just wrote that he succeeded to parameterize bonded parameters of my metal-complex. I am very happy because of this fact. This give me a chance to do the same (I hope) and finally to see is it classical ff really so bad for MD with TM (in geometry and energetic issues). This open to me more accurate door for other calc. (QM/MM for example).

Once again thanks for all advices and critics from the members of this forum. Excuses for Christopher again.

Cheers
Zoran