Dear votca users. I am a new votca user.I am trying to make a two site model for methanol. The CH3 group is replaced by one bead and OH by another. I have one bonded interaction and three non-bonded interactions. I am trying to coarse grain using force matching. I have created a methane.xml and a fmatch.xml file (attached). After performing an all atom simulation I run the command for force matching as - csg_stat --top topol.tpr --trj traj.trr --options fmatch.xml
But i get the following error - Topology does not have beads of type "CH3"
This was specified in type1 of
interaction "A-B"
Can someone please tell me what is wrong with my input files ?
Also, the manual says min and max for fmatch can be set using csg_dump. Can
someone please tell me who this can be done without any initial guess in
the .xml file ?
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fmatch.xml
Description: XML document
methanol.xml
Description: XML document
