bdmkhtn at yahoo.com
Thu Oct 15 12:24:00 CEST 2015
Dear Gmx Users,
I have a question on grompp !
I built some membrane in Charmm-gui with ion and water etc and i took that output data for gromacs. Then i changed xxxx.pdb file on the gromacs. Do the pdb2gmx and editconf then grompp. Unfortunately grompp gave me an error!
No default U-B types.[file topol.top, line XXXX]
In this case what should i do?( I thought charmm-gui generated and supplied all ffbonded.itp ( .itp files was in "toppor" directory ) file for this membrane. and then i should put it that file on gromacs' ffbonded. itp file ? ) What's the wrong in here? Any help or suggestion highly appreciate! I am using charmm36.ff .
Thank you! Khatnaa
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