This fix applies to all versions of CHARMM through c40a2 and c39b2 (but I only checked as far back as c32b2).
Use of the following command corrupts data arrays SSKIP and STOT, and does not return correct results.
MANTIME series-name AVER integerThe file that needs to be fixed is source/correl/mantim.src
Here is the output from 'diff -u', with the fixes identified with '+', and the old code with '-'; in essence, the the variable I should be the variable L.
+++ mantim.src 2015-03-02 20:19:02.913981863 -0500
@@ -266,8 +266,8 @@
ENDDO
TQ(I,L)=QDIM/(JFIN-JSTRT+1)
ENDDO
- STOT(I+ISER-1)=NEWT
- SSKIP(I+ISER-1)=NSKIP*NUTIL
+ STOT(L+ISER-1)=NEWT
+ SSKIP(L+ISER-1)=NSKIP*NUTIL
ENDDO
!
!================================================================