Date: Fri Apr 16 2010 - 05:35:46 CDT
help; can you tell me how to cancel the e-mails like those that from namd-l.......... thank you. i'm look froward to your reply.
å¨2010-04-16 18:29:29ï¼"Neelanjana Sengupta" <senguptan_at_gmail.com> åéï¼
Hi NAMD experts,
I am defining an rg colvar component as follows:
# atom group definition:
However, NAMD fails to recognize this atom group definition, and complains:
colvars: Initializing atom group "atoms".
colvars: Error: no atoms defined for atom group "atoms".
I could not figure out the problem here. I have used a similar module for a reference structure in RMSD (refPositionsFile, refPositionsCol, refPositionsColValue), and that had worked...
Some pointers would be very helpful.
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