AMBER Archive (2004)

Subject: Re: AMBER: use leap to build top & crd files for a pdb file with crytalline water molecules

From: Jianwen Jiang (jiangj_at_che.udel.edu)
Date: Tue Dec 21 2004 - 20:22:00 CST

Thank you, but from what I have tried, it does not work.

Bill Ross wrote:

> > HETATM 1080 O HOH 78 43.755 23.843 8.038 0.38 17.96 O
>
> You may need to make these ATOM records with a TER after each.
>
> Bill
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--
best regards,

Jianwen

-----------------------------------------
Jianwen Jiang
Department of Chemical Engineering
University of Delaware
Newark, DE 19716
-----------------------------------------

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