AFM cleaning with pgi compiler

[unres.git] / source / unres / src_MD-M / ssMD.F

diff --git a/source/unres/src_MD-M/ssMD.F b/source/unres/src_MD-M/ssMD.F
index 2e0ace7..aa938b5 100644 (file)
--- a/source/unres/src_MD-M/ssMD.F
+++ b/source/unres/src_MD-M/ssMD.F
@@ -138,7 +138,7 @@ c-------TESTING CODE
       common /sschecks/ checkstop,transgrad
 
       integer icheck,nicheck,jcheck,njcheck
-      double precision echeck(-1:1),deps,ssx0,ljx0
+      double precision echeck(-1:1),deps,ssx0,ljx0,xi,yi,zi
 c-------END TESTING CODE
 
 
@@ -153,11 +153,11 @@ c-------END TESTING CODE
         xi=c(1,nres+i)
         yi=c(2,nres+i)
         zi=c(3,nres+i)
-          xi=mod(xi,boxxsize)
+          xi=dmod(xi,boxxsize)
           if (xi.lt.0) xi=xi+boxxsize
-          yi=mod(yi,boxysize)
+          yi=dmod(yi,boxysize)
           if (yi.lt.0) yi=yi+boxysize
-          zi=mod(zi,boxzsize)
+          zi=dmod(zi,boxzsize)
           if (zi.lt.0) zi=zi+boxzsize
 C define scaling factor for lipids
 
@@ -191,11 +191,11 @@ C lipbufthick is thickenes of lipid buffore
             xj=c(1,nres+j)
             yj=c(2,nres+j)
             zj=c(3,nres+j)
-          xj=mod(xj,boxxsize)
+          xj=dmod(xj,boxxsize)
           if (xj.lt.0) xj=xj+boxxsize
-          yj=mod(yj,boxysize)
+          yj=dmod(yj,boxysize)
           if (yj.lt.0) yj=yj+boxysize
-          zj=mod(zj,boxzsize)
+          zj=dmod(zj,boxzsize)
           if (zj.lt.0) zj=zj+boxzsize
        if ((zj.gt.bordlipbot)
      &.and.(zj.lt.bordliptop)) then