Dear amber user,
I have done 1drism calculation after doing 1drism
calculation I got .xvv file which is required for 3DRISM calculation. After
performing 1DRISM calculation I did 3DRISM Calculation but it is giving
following ERROR:
ERROR> RXRISM: reached limit # of relaxation steps: 10000
STOP 1
Any help in resolving this problem will be highly appriciated.
Thank you
*Atul Kuamr jaiswal*
Research Scholar
School of Computational and Integrative Sciences
Centre for Computational Biology and Bioinformatics (CCBB)
JNU,New Delhi
India.
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Received on Sun Apr 17 2016 - 23:00:03 PDT
