ABF tutorial

From: sudipta (sudipta.mml_at_gmail.com)
Date: Mon Jul 20 2009 - 08:57:54 CDT

• Next message: Chris Chipot: "Re: ABF tutorial"
• Previous message: Sebastian Stolzenberg: "how work: harmonic position "constraints" module + "WrapAll on"?"
• Next in thread: Chris Chipot: "Re: ABF tutorial"
• Reply: Chris Chipot: "Re: ABF tutorial"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Hi All,

I want to run ABF simulation of decaalanine that has given in tutorial file.
But I have not got all the required file in tutorial directory. The files
which I have not got are

 COORDINATES

coordinates reference_0.coor
bincoordinates reference.coor

# VELOCITIES

velocities reference_0.vel
binvelocities reference.vel

Can anyone please suggest me where from I get or generate these file.

Thanks & regards
Sudipta

• Next message: Chris Chipot: "Re: ABF tutorial"
• Previous message: Sebastian Stolzenberg: "how work: harmonic position "constraints" module + "WrapAll on"?"
• Next in thread: Chris Chipot: "Re: ABF tutorial"
• Reply: Chris Chipot: "Re: ABF tutorial"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:53:03 CST