********>Bugfix.32:
Author: Dave Case
Date: 02/10/2005
Programs: sander
Description: When ntp=0, (so that pressure is not being regulated) the value
printed for the pressure in the mden has no real meaning,
and can even be formatted incorrectly.
Fix: apply the following patch to amber8/src/sander/runmd.f
------------------------------------------------------------------------------
*** runmd.f 2004/11/30 02:31:24 7.259
--- runmd.f 2005/01/29 01:13:42
***************
*** 141,147 ****
logical ixdump,ivarch,itdump
logical qsetup
! equivalence (scaltp,ener(5)),(vol,ener(10))
equivalence (pres(1),ener(11)),(ekcmt(1),ener(15))
equivalence (vir(1),ener(19))
integer nvalid
--- 141,147 ----
logical ixdump,ivarch,itdump
logical qsetup
! equivalence (vol,ener(10))
equivalence (pres(1),ener(11)),(ekcmt(1),ener(15))
equivalence (vir(1),ener(19))
integer nvalid
------------------------------------------------------------------------------
Workarounds: none.