wham is prining energies; all "good" changes seems to be revoked improve in rmsd...
authorAdam Sieradzan <adasko@piasek4.chem.univ.gda.pl>
Wed, 30 Mar 2016 08:16:35 +0000 (10:16 +0200)
committerAdam Sieradzan <adasko@piasek4.chem.univ.gda.pl>
Wed, 30 Mar 2016 08:16:35 +0000 (10:16 +0200)
commit9ab6a6c94ffa93357b777d7a01615bc2cb964622
tree0ab0b395f6321de468fcb1392861a10c8708e383
parent1102b0fb298602dd1f056bfe4de1d42e350f16f3
wham is prining energies; all "good" changes seems to be revoked improve in rmsd calc in wham
PARAM/fourier_opt_iter0_7prot-eps.parm [new file with mode: 0644]
PARAM/sc_GB_opt_iter0_7prot-eps.parm [new file with mode: 0644]
PARAM/sc_GB_opt_iter0_7prot-eps_ext_lip.parm [new file with mode: 0644]
PARAM/tor_opt_iter0_7prot-eps.parm [new file with mode: 0644]
PARAM/torsion_631Gdp_old_ext.parm [new file with mode: 0644]
PARAM/torsion_double_631Gdp_old_ext.parm [new file with mode: 0644]
source/cluster/wham/src-M/energy_p_new.F
source/unres/src_MD-M/energy_p_new_barrier.F
source/wham/src-M/energy_p_new.F
source/wham/src-M/read_ref_str.F
source/wham/src-M/rmscalc.f