From: Vlad Cojocaru (vlad.cojocaru_at_mpi-muenster.mpg.de)
Date: Tue Mar 31 2020 - 18:20:00 CDT
Well, OPC is a rigid model, so that should be fine ....
On 31 March 2020 22:34:57 CEST, Victor Kwan <vkwan8_at_uwo.ca> wrote:
>rigidBonds water is required for waterModel tip4p, which means your OPC
>water will be rigid.
>
>On Tue, Mar 31, 2020 at 4:03 PM Vlad Cojocaru <
>vlad.cojocaru_at_mpi-muenster.mpg.de> wrote:
>
>> Dear all,
>>
>> I would like to run some simulations using an Amber topology with the
>4
>> point OPC water model in NAMD ...
>> The "waterModel" keyword does not allow the "OPC" value, so I was
>> wondering if it is safe to use TIP4P ... The parameters should be
>read
>> from the topology file anyhow .. Right ?
>>
>> Best wishes
>> Vlad
>>
>> --
>> Vlad Cojocaru, PD (Habil.), Ph.D.
>> -----------------------------------------------
>> Project Group Leader
>> Department of Cell and Developmental Biology
>> Max Planck Institute for Molecular Biomedicine
>> Röntgenstrasse 20, 48149 Münster, Germany
>> -----------------------------------------------
>> Tel: +49-251-70365-324; Fax: +49-251-70365-399
>> Email: vlad.cojocaru[at]mpi-muenster.mpg.de
>> http://www.mpi-muenster.mpg.de/43241/cojocaru
>>
>>
-- Sent from my Android device with K-9 Mail. Please excuse my brevity.
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