[gmx-users] Re: topology and coordinate file not matching after grompp

chinnu657 cma1g09 at soton.ac.uk
Fri Aug 2 14:37:04 CEST 2013


Hi Justin,

Yes that was a problem. So after modifying my #include statement in the itp
file (initially top. file), it became:


; Include Position restraint file
#ifdef POSRES
#include "posre_2CDS.itp"
#endif

thank you
Chinnu



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