AMBER Archive (2004)

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

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Thu Feb 19 2004 - 14:00:38 CST

> > 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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