AMBER Archive (2009)

Subject: Re: [AMBER] problems with EP of TIP4PEW

From: rebeca (rebeca_at_mmb.pcb.ub.es)
Date: Wed Jun 03 2009 - 13:40:12 CDT

The Leap output is generated, but it seems the program does not recognize
the lonely pairs, so maybe the simulation are equivalent to solvate just
with TIP4P?

On Wed, 3 Jun 2009 12:29:43 -0400, "David A. Case"
<case_at_biomaps.rutgers.edu> wrote:
> On Wed, Jun 03, 2009, rebeca wrote:
>
>> WARNING: There is a bond of 0.149967 angstroms between:
>> ------- .R<WAT 3398>.A<EPW 4> and .R<WAT 3398>.A<O 1>
>
>> (UNKNOWN ATOM TYPE: EP)
>
> I don't think either of these messages is of any consequence. Are you
> having
> problems with generating output from LEaP?
>
> ...dac
>
>
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-- 
Rebeca García Fandiño
Molecular Modelling and Bioinformatics Group
Institut de Reçerca Biomèdica 
Parc Cientific de Barcelona
08028 Barcelona
rebeca_at_mmb.pcb.ub.es

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