AMBER Archive (2007)Subject: AMBER: Problem while saving .top and .crd files.
From: Anju Sharma (anju.020384_at_gmail.com)
Date: Mon Jul 30 2007 - 22:47:39 CDT
Hello Amber users,
While trying to save .top and .crd files for my drug molecule in xleap i
encounterd following error:
--------------------------------------------------------------------------------------------------------------
Could not find angle parameter (ex: H-C-C, there are lot more lk dis)
Could not find bond parameter (ex: OH-H, and many more)
Building proper torsion parameters.
Building improper torsion parameters.
total 4 improper torsions applied.
Building H-bond parameters.
Parameter file was not saved.
-------------------------------------------------------------------------------------------------------------
How to overcome dis error nd save d topology and coordinate file?
Regards,
--
Anju Sharma
Project Fellow,
NIT, Hamirpur (H.P.)
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
|