[gmx-users] Re: Atomtype OWT3 not found during EM step

[juganta]

Thanks Justin for your information. But I got those lines in /gromacs
4.5.5/top/tip3p.itp  --
#ifdef _FF_GROMACS
#include "gmx.ff/tip3p.itp"
#endif
#ifdef _FF_GROMOS96
#include "gromos43a1.ff/tip3p.itp"
#endif
#ifdef _FF_OPLS  
#include "oplsaa.ff/tip3p.itp"
#endif

I thought I can use tip3p.itp with G43a1 forcefield, becasue of the 2nd
condition.
Let me clear it.

Thanks in advance.

Juganta Roy








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