Re: [AMBER] Calcium possibly replaced by carbon with MCPB

From: <>
Date: Wed, 15 Oct 2014 09:25:07 +0800 (CST)

Hi Peng Fei,

Ok, so I continue to have the same problem... I modified the metals.xml and metalParm.xml files, but I got the same result.
I also tried to use the metals2.xml and metalParm2.xml files, which contain your updates VDW parameters, also to no avail. I then went on to modify those files in the same way as the metals.xml and metalParm.xml... also no result.
I also tried to modify the elements.xml and parm94 or 99.xml files, to change all mention of Ca (calcium) to C0, but I got the same result... I really don't know what is happening, and would really appreciate some more help from you.

Thanks again,

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Received on Tue Oct 14 2014 - 18:30:02 PDT
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