Re: AMBER: Build a H+ ion in Leap?

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Thu, 19 Feb 2004 12:00:38 -0800 (PST)

> > saveamberparm x1 x1.top x1.crd
> ...
> Segmentation fault

This is a bug in the program. You may be able to avoid it by
making sure that the definition of the H+ atom type parallels
that of Li+ (in frcmod and addAtomTypes as in the leaprc's).

Also, can you saveamberparm ok before adding the H+?

Bill

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Received on Thu Feb 19 2004 - 20:53:01 PST
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