From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Fri Feb 14 2014 - 06:47:51 CST

VMDs solvate GUI is able to handle non standard solvent. All you need is a
pre-equilibrated box with pdb/psf and its topology.

 

Norman Geist.

 

Von: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] Im Auftrag
von Javad Noroozi
Gesendet: Freitag, 14. Februar 2014 12:59
An: namd-l_at_ks.uiuc.edu
Betreff: namd-l: Solvation in non standard solvent

 

How can solvate a drug in non standard solvent using NAMD?

 

Javad Noroozi

Chemical Engineering Department

Sharif University of Technology

Email: jnoroozi_at_che.sharif.ir

 

 

 

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