Re: [AMBER] MTK++/MCPB Error Loading AMBER prep file 1AMP_OH_chg2.prep in xleap

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Thu, 5 May 2011 11:42:33 -0700

> Somehow the improper lines have only three items and they should have four.

Note that impropers in prepin files are ignored anyway. The only
use for them is that leap will tell you what they are for
diagnostic purposes if there is a discrepancy with the number
that leap applies by pattern-matching (as I remember it).

Bill

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Received on Thu May 05 2011 - 12:00:06 PDT
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