[gmx-users] bond types in OPLS
biobee at rediffmail.com
Wed Apr 13 09:23:59 CEST 2005
I am simulating a protein with 320 aminoacids with a Fe2+ and CO3 hetero groups in it. I have tried to append the CO3 to rtp file of OPLS and have placed an itp file in the working folder also.
But when i run grompp it gives me warnings stating that the bond types were not specified and has been set to zero.
Please help me about solving the problem?
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