[gmx-users] Error in simulating graphene

B S Bhushan ecebhushan at gmail.com
Thu Jul 13 12:03:23 CEST 2017

Dear Experts,

I am new to gromacs. I want to simulate electric double layer capacitance
at graphene - liquid electrolyte interface. so far, I have practiced the
tutorials from bevanlab page "Lysozyme in water" "biphasic systems". Next,
I was trying to simulate the CNT/graphene tutorials available at thirdparty
web pages. However I am getting errors while trying to generate topology
file using *x2top* module.

When following the tutorial given at
I am getting the error,
"*Inconsistency in user input:*
*Could not find force field 'cnt_oplsaa' in current directory, install tree
*GMXLIB path*."

When following the tutorial given at
I am getting the error,
"*Fatal error:*
*Could only find a forcefield type for 0 out of 168 atoms.*"

Please suggest.
Thank you so much for your time and knowledge.

Awaiting suggestions,
B S Bhushan
Research Scholar,
ABV - Indian Institute of Information Technology and Management, Gwalior,

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