[gmx-users] Fatal error: Bond atom type names can't be single digits

Sangita Kachhap sangita at imtech.res.in
Tue Apr 17 20:29:23 CEST 2012


Hello all

I am new for gromacs. I have to do MD simulation of membrane protein docked with
organic molecule.
I have gerated top and itp for ligand using PRODRG server also generated top
file for complex.
But when I am generating .tpr file for a POPC system using grompp getting an error:

creating statusfile for 1 node...
checking input for internal consistency...
calling /lib/cpp...
processing topology...
Cleaning up temporary file gromppWQnjOb
Fatal error: Bond atom type names can't be single digits.

I am using gromacs-4.5.5

Can someone help me to find out where is actually problem is occuring?

With regards
Sangita Kachhap
SRF
BIC,IMTECH
CHANDIGARH

______________________________________________________________________
सूक्ष्मजीव प्रौद्योगिकी संस्थान (वैज्ञानिक औद्योगिक अनुसंधान परिषद)
Institute of Microbial Technology (A CONSTITUENT ESTABLISHMENT OF CSIR)
सैक्टर 39 ए, चण्डीगढ़ / Sector 39-A, Chandigarh
पिन कोड/PIN CODE :160036
दूरभाष/EPABX :0172 6665 201-202



More information about the gromacs.org_gmx-users mailing list