! note: if this common block if changed, dont forget to ! update the initial broadcast in subroutine startup() ! in parallel.f ! some ntr stuff is broadcast as part of memory.h in NATOM block ! ntr itself is in md.h in the NRP block ! itgtmd 0 is default ! 1 implies targeted md is to be used ! xc() will be the refc for RMSD calculation ! dotgtmd like "konst" logical for restrained (ntr=1) md ! tgtrmsd target rmsd value ! tgtmdfrc force constant for tmd ! cannot be used with ntr=1 since refc shared ! some info shared with variables normally used with ntr=1 integer itgtmd common/tmd_int/ itgtmd logical dotgtmd,rmsok _REAL_ tgtrmsd,tgtmdfrc common/tmd_real/ tgtrmsd,tgtmdfrc ! this does not need to be broadcast by parallel.f, it is done in runmd ! will need to be used in ene.f _REAL_ rmsdvalue common/tmd_real2/ rmsdvalue