I'm getting an unusual warning whenever I execute *$ grompp -f em.mdp -c
solv.gro -p topol.top -o ions.tpr *

*Warning: atom name 4687 in topol.top and solv.gro does not match (C1B -
*WARNING 1 [file topol.top, line 44227]:*
*  71 non-matching atom names*
*  atom names from topol.top will be used*
*  atom names from solv.gro will be ignored*

I'm having a protein ligand system, where topology of ligand (*ligand.itp*)
is generated from CGenFF and *ligand.gro* (for building the *complex.gro*) file
was obtained from PRODRG server.

Please suggest me a way out of this.

Thank you.

Abhisek Mondal

*Senior Research Fellow*

*Structural Biology and Bioinformatics Division*
*CSIR-Indian Institute of Chemical Biology*

*Kolkata 700032*

Gromacs Users mailing list

* Please search the archive at 
http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!

* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

* For (un)subscribe requests visit
https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a 
mail to gmx-users-requ...@gromacs.org.

Reply via email to