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.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
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
--
Rebeca García Fandiño
Molecular Modelling and Bioinformatics Group
Institut de Reçerca Biomèdica
Parc Cientific de Barcelona
08028 Barcelona
rebeca.mmb.pcb.ub.es
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Jun 04 2009 - 01:12:01 PDT
