[gmx-users] Topolgen

rakesh parida rakeshparida92 at gmail.com
Sun Aug 18 10:01:33 CEST 2019


Dear Team,
I am new to gromacs software. I have been generating the topology file for
the PF6(anion) by using topolgen1.1 software (with the Perl program). The
software is generating the skeletal of the .itp file for PF(anion) but
there is no bonded parameter in that file. Please suggest me how to
generate a complete .itp file for a molecular system.
I am giving the .itp file for your reference, which has been generated by
topolgen1.1 software. please find it.


-- 
Rakesh Parida
Junior Research fellow
Department of chemistry,
National Institute of Technology, Rourkela


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