AMBER Archive (2004)

Subject: Re: AMBER: How to add H+ ion in leap?

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Tue Feb 17 2004 - 14:29:17 CST

> I tried to add H+ to a pdb file using the code below, it seems fine, but
> when I tried to save to pdb file, it failed as "Segmentation fault". Any
> suggestions?

There is clearly a bug.. another issue is:

> > hp = createatom HP HW 1.000

The vdw for HW is 0, so I would choose another type.

Bill Ross
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