using an Amber topology with OPC water model in NAMD

From: Vlad Cojocaru (vlad.cojocaru_at_mpi-muenster.mpg.de)
Date: Tue Mar 31 2020 - 13:38:42 CDT

• Next message: Victor Kwan: "Re: using an Amber topology with OPC water model in NAMD"
• Previous message: Raman Preet Singh: "Collaboration offer"
• Next in thread: Victor Kwan: "Re: using an Amber topology with OPC water model in NAMD"
• Reply: Victor Kwan: "Re: using an Amber topology with OPC water model in NAMD"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

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

• Next message: Victor Kwan: "Re: using an Amber topology with OPC water model in NAMD"
• Previous message: Raman Preet Singh: "Collaboration offer"
• Next in thread: Victor Kwan: "Re: using an Amber topology with OPC water model in NAMD"
• Reply: Victor Kwan: "Re: using an Amber topology with OPC water model in NAMD"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Fri Dec 31 2021 - 23:17:08 CST