From: yandong Huang (ydhuang2727_at_163.com)
Date: Thu Jun 02 2011 - 07:32:41 CDT
It seems that it's charmm ff, so the vdw par of metal ions are exclusively for charmm ff. Therefore i don't think there is not relationship between them, unless the UFF you mentioned is consistent with charmm ff.
You'd better put your question on the CHARMM forum for more good answer.
At 2011-05-31 17:49:55£¬"ÅÓ´ºÀö" <yonghunihao_at_163.com> wrote:
I need the vdw parameters of two kind of metal ions: strontium and nickle.
I found that the value of some known metal ions in par_all27_prot_lipid.inp are quite different with the paratool reference paper. The reference paper is "UFF, a Full Periodic Table Force Field for Molecular Mechanics and Molecular Dynamics Simulations "
Is there any relationship between them?
Can I use the value in the reference paper for modulation?
any answer will be appreciated!
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