Re: [AMBER-Developers] Do sleap support water?

From: Wei Zhang <zgjzweig.gmail.com>
Date: Mon, 30 Nov 2009 04:49:53 -0600

Hi,

    Thank you for reporting this, I will check and try to fix it ASAP.

    Sincerely,

    Wei
On Nov 30, 2009, at 4:46 AM, MengJuei Hsieh wrote:

> Hi,
>
> I was testing hydrogen radii in a water molecule the other day, I found out
> this script doesn't work in AmberTools 1.3rc sleap but seems to be okay in
> tleap:
> mymol = sequence{TP3}
> saveamberparm mymol wat.prmtop wat.inprst
> sleap simply dies with segfault. This also happens to following commands
> mymol = loadpdb water.pdb
> saveamberparm mymol water.prmtop water.inprst
> sleap dies with segfault.
>
> On the other hand, solvate* commands seem to be working perfectly in sleap.
>
> I apologize if this has been reported.
>
> Thanks,
> --
> Mengjuei Hsieh, Molecular Biology & Biochem, Univ. of California Irvine.
>
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Received on Mon Nov 30 2009 - 03:00:04 PST
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