introduction of infinite cylinder potential - currently without PBC
authorAdam Sieradzan <adasko@piasek4.chem.univ.gda.pl>
Wed, 30 Mar 2016 20:43:39 +0000 (22:43 +0200)
committerAdam Sieradzan <adasko@piasek4.chem.univ.gda.pl>
Wed, 30 Mar 2016 20:43:39 +0000 (22:43 +0200)
commit0cda1be1a3786bb92473b33bf4694c86e35e2407
tree26da0c95b4cf97f8677f23e0dccf1498ef62b668
parent03e303eee46392dc774f51e05ab5b8c0dec398f7
introduction of infinite cylinder potential - currently without PBC
12 files changed:
PARAM/tube.parm [new file with mode: 0644]
source/unres/src_MD-M/COMMON.CHAIN
source/unres/src_MD-M/COMMON.CONTROL
source/unres/src_MD-M/COMMON.DERIV
source/unres/src_MD-M/COMMON.FFIELD
source/unres/src_MD-M/COMMON.INTERACT
source/unres/src_MD-M/COMMON.IOUNITS
source/unres/src_MD-M/energy_p_new_barrier.F
source/unres/src_MD-M/gradient_p.F
source/unres/src_MD-M/initialize_p.F
source/unres/src_MD-M/parmread.F
source/unres/src_MD-M/readrtns_CSA.F