D i L aminokwasy tuz przed testami

[unres.git] / source / wham / src / parmread.F

diff --git a/source/wham/src/parmread.F b/source/wham/src/parmread.F
index 9b5e224..d8d7817 100644 (file)
--- a/source/wham/src/parmread.F
+++ b/source/wham/src/parmread.F
@@ -23,6 +23,7 @@ C
       include 'COMMON.FREE'
       character*1 t1,t2,t3
       character*1 onelett(4) /"G","A","P","D"/
+      character*1 toronelet(-2:2)/"p","a","G","A","P"/
       logical lprint
       dimension blower(3,3,maxlob)
       character*800 controlcard
@@ -528,12 +529,12 @@ C
 C
 C 6/23/01 Read parameters for double torsionals
 C
-      do i=1,ntortyp
-        do j=1,ntortyp
+      do i=0,ntortyp-1
+        do j=-ntortyp,ntortyp
           do k=1,ntortyp
             read (itordp,'(3a1)') t1,t2,t3
-            if (t1.ne.onelett(i) .or. t2.ne.onelett(j) 
-     &        .or. t3.ne.onelett(k)) then
+            if (t1.ne.toronelet(i) .or. t2.ne.toronelet(j) 
+     &        .or. t3.ne.toronelet(k)) then
               write (iout,*) "Error in double torsional parameter file",
      &         i,j,k,t1,t2,t3
                stop "Error in double torsional parameter file"