********>Bugfix 23:
Author: John Mongan
Date: 09/01/2004
Programs: sander (constant pH calcualtions)
Description: If there is only one titrating site, a poorly initialized
variable might lead to crashes
Fix: apply the following patch to amber8/src/sander/mdread.f
------------------------------------------------------------------------------
*** mdread.f 2004/05/03 17:49:02 7.288
--- mdread.f 2004/08/20 20:49:06
***************
*** 497,503 ****
common /cnstphresname/ resname
namelist /cnstph/ stateinf, resstate, protcnt, chrgdat, statene,trescnt,resname
! icumstat = 0
icumchrg = 0
write(6,'(a,a)') 'reading charge increments from file: ',cpin
--- 497,503 ----
common /cnstphresname/ resname
namelist /cnstph/ stateinf, resstate, protcnt, chrgdat, statene,trescnt,resname
! icumstat = -1
icumchrg = 0
write(6,'(a,a)') 'reading charge increments from file: ',cpin
------------------------------------------------------------------------------
Temporary workarounds: none.