.colvars.state file in ABF

From: Parisa Akhski (Parisa.Akhshi_at_chem.queensu.ca)
Date: Tue Jan 04 2011 - 15:51:09 CST

• Next message: BIN ZHANG: "free energy perturbation"
• Previous message: Prathit Chatterjee: "Re: parameter file for DMPC lipid and protein system but with CHARMM36 lipids"
• In reply to: Alex Liu: ".colvars.state file in ABF"
• Next in thread: Jérôme Hénin: "Re: .colvars.state file in ABF"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Hi,
 
I am using Deca-Alanine input files (ABF-tutorial files) to run ABF as a test.
The output file (<outputName>.colvars.state) as explained
in http://www.ks.uiuc.edu/Research/namd/2.7/ug/node48.html is not produced by
default. How can I continue the simulation in the next run? Can I use
(<restart>.colvars.state) instead?

Thanks,
Alex

• Next message: BIN ZHANG: "free energy perturbation"
• Previous message: Prathit Chatterjee: "Re: parameter file for DMPC lipid and protein system but with CHARMM36 lipids"
• In reply to: Alex Liu: ".colvars.state file in ABF"
• Next in thread: Jérôme Hénin: "Re: .colvars.state file in ABF"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:56:30 CST