[AMBER] Problem in creating topology of NAD

From: Ashutosh Shandilya <izerokelvin.gmail.com>
Date: Fri, 2 Mar 2012 12:20:06 +0530

Dear all
I am trying to make topology file for NAD atom. I downloaded the
coordinates of NAD from RCSB and made the library file and added missing
parameteres in the frcmod file. But it could still not save the topology
file for NAD while building H bond parameters.
Building topology.

Building atom parameters.
Building bond parameters.
Building angle parameters.
Building proper torsion parameters.
 ** No torsion terms for CA-CA-N*-CA
 ** No torsion terms for CA-N*-CA-CA
 ** No torsion terms for CT-N*-CA-CA
 ** No torsion terms for CT-N*-CA-CA
Building improper torsion parameters.
 total 3 improper torsions applied
*Building H-Bond parameters*.
*Parameter file was not saved.*

I have tried various combination and any help is appreciated or if any
information is missing let me know.

Thanks and regards
Ashutosh Shandilya
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Mar 01 2012 - 23:00:02 PST
Custom Search