From: Radak, Brian K (bradak_at_anl.gov)
Date: Fri Jun 09 2017 - 09:39:46 CDT
Correct me if I'm wrong, but this seems to be a pretty straightforward error message. Is there an entry for an atom type "O" in the NONBONDED section of any of the parameter files you included? If the answer is "no", then you are missing a file. If the answer is "yes", then something more serious might be happening.
Brian Radak
Postdoctoral Appointee
Leadership Computing Facility
Argonne National Laboratory
9700 South Cass Avenue, Bldg. 240
Argonne, IL 60439-4854
(630) 252-8643
brian.radak_at_anl.gov
________________________________
From: owner-namd-l_at_ks.uiuc.edu <owner-namd-l_at_ks.uiuc.edu> on behalf of divyabharathi korlepara <divyabharathik938_at_gmail.com>
Sent: Friday, June 9, 2017 2:58 AM
To: namd-l_at_ks.uiuc.edu
Subject: namd-l: Two parameter file in NAMD configuration file
Hi NAMD users,
I am new to NAMD. I have to run a simulation for a system
having cyclohexane and benzene.
I have generated psf files using charmm carbohydrate
topology for cyclodextrin and cgenff for benzene.
1) As mentioned in the given link we can use to more than one
parameter file
http://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l.2014-2015/2449.html
2) While running the simulation i have mentioned two
parameter files using keyword 'parameters' then the simulation terminating
by giving the
error FATAL ERROR: DIDN'T FIND vdW PARAMETER FOR ATOM TYPE O
Awaiting for your response.
Thanks,
Divya.
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