[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
More information about the gromacs.org_gmx-users
mailing list