if i used value 1 for ntx flag then this error shown in output file
NTX / IREST inconsistency
*** input error(s)
Sajda Ashraf,
Jr.Research fellow,
Lab No. P-133, Computational Chemistry Unit,
Dr. Panjwani Center for Molecular Medicine and Drug Research,
International Center for Chemical and Biological Sciences,
University of Karachi-75270.
Karachi-Pakistan.
UAN: (92-21) 111-222-292 Ext. (309)
E-mail: sajda.ashraf.yahoo.com
http://sites.google.com/site/zaheerqasmi/groupmember
On Sunday, May 18, 2014 12:50 AM, David A Case <case.biomaps.rutgers.edu> wrote:
On Fri, May 16, 2014, Sajda Ashraf wrote:
> when i run minimization there is an error occur in output file of minimization
> ERROR: ''I could not find enough velocities in complex.inpcrd''
> can you guide me hoe can i solve this problem????
Check your value of ntx: it should be 1 if there are no velocities in the
input file.
...dac
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Received on Sun May 18 2014 - 22:30:03 PDT
