[gmx-users] How to proceed with molecule.itp file
Sotirios Dionysios I. Papadatos
si.papadatos at edu.cut.ac.cy
Thu May 21 09:13:07 CEST 2015
I have made a molecule.itp file according to the chapter 5 of Gromacs Manual and existing entries in the ff directory I want to use.
My problem is that I don't know how to continue, in theory I have to include it in the .top file but a .top file is produced by pdb2gmx which I cannot use because there isn't an entry in .rtp.
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