My calcforces does not work properly after a unknown point of the simulation.

From: Salvatore Mario Cosseddu (
Date: Wed Mar 13 2013 - 15:35:11 CDT

Dear All,

Can you find anything wrong in the tclforces script I'm attaching? It's
a spherical armonic constrain from the COM of a region of the protein.
The potential works fine at the beginning of the simulation, than it
fails. It looks like it is not working over all the selected atoms any
more. Any ideas?

Many thanks

Salvatore Cosseddu
PhD student
Centre for Scientific Computing and School of Engineering
University of Warwick
Coventry CV4 7AL
United Kingdom

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