residue_rmsd.tcl question

From: Christian Blouin (cblouin_at_cs.dal.ca)
Date: Fri Nov 02 2007 - 08:12:51 CDT

• Next message: Richard Baxter: "charmrun: execve failed to start; intel dual core Redhat"
• Previous message: Ming: "How to evaluate the area per lipid and thickness of a lipid bilayer?"
• Next in thread: Ilya Chorny: "Re: residue_rmsd.tcl question"
• Reply: Ilya Chorny: "Re: residue_rmsd.tcl question"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Greetings,

            We are attempting to apply the RMSD for individual residues
(NAMD tutorial) on a protein that has two residues with negative indexes.
The line:

            rmsd_residue_over_time top $sel_resid

            fails with the message:

            Calculating rmsd for frame 0

            Atomselect: cannot parse selection text: protein and resid -2
and noh

            Can anyone on this list help us understand the nature of this
problem and how to get around it.

            Thanks,

Christian

• Next message: Richard Baxter: "charmrun: execve failed to start; intel dual core Redhat"
• Previous message: Ming: "How to evaluate the area per lipid and thickness of a lipid bilayer?"
• Next in thread: Ilya Chorny: "Re: residue_rmsd.tcl question"
• Reply: Ilya Chorny: "Re: residue_rmsd.tcl question"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:45:28 CST