[gmx-users] RTP file format

dimka newyorkdimka at gmail.com
Thu Dec 29 22:26:30 CET 2005


what does the first few lines of rtp file mean?
this is example from ffcharmm.rtp

[   bondedtypes   ]
;   bonds   angles   dihedrals   impropers   all_dihedrals   nrexcl
1   1   3   1   1   3

I'm especially interested what do the values mean.  As I understand their
definitions are above, so bonds =1, angles=1, dihedrals=3, but what this
value corresponds to?  I also looked at other rtp and they all have
different values for these parameters.

can anyone can point me to a formal definitions of these file format....
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