[AMBER] Arsenic VDW parameters

From: zhukk <kkzhu0818.hotmail.com>
Date: Tue, 9 Oct 2012 08:11:34 +0000

Dear Amber Users,

We are currently interested in running MD simulations on some proteins that contain metal ions As, unfortunately, I can not find the VDW parameters for As in amber parm99 forcefield. And I also try my best to find the parameters everywhere, but faild at last. If anyone of you has experience using these elements in Amber, can you provide me with the parameters, references or general reminder how can I develop them?

Any suggestions are greatly appreciated!Thanks in advance!

Best regards,

kk zhu
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Received on Tue Oct 09 2012 - 01:30:05 PDT
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