[gmx-users] Error during grompp run

Kshatresh Dutta Dubey kshatresh at ymail.com
Tue Mar 19 15:46:48 CET 2013


Dear Users

I am using groamcs 4.4.4 and when I run grompp during equilibration process, it closes with error
 " Fatal error:Topology include file "posre_Protein.itp" not found
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors"

However, I found Topology include file "posre_Protein.itp" in current directory. I am able to successfully run previous grompp during minimization, but I am facing this problem during equilibration only.

Please help me to get rid of this issue. I welcome all suggestions.

Thanks in advance

Kshatresh Dutta Dubey 


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