From: Cezary Czaplewski Date: Tue, 24 Apr 2018 11:28:36 +0000 (+0200) Subject: readpdb lside1 correction X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=9ae8ee5cf9fc01ccc83a4930bf2db2d77802755e readpdb lside1 correction --- diff --git a/source/cluster/wham/src/readpdb.F b/source/cluster/wham/src/readpdb.F index 604b840..0160eb1 100644 --- a/source/cluster/wham/src/readpdb.F +++ b/source/cluster/wham/src/readpdb.F @@ -347,7 +347,7 @@ c vbld(nres)=3.8d0 c vbld_inv(nres)=1.0d0/vbld(2) c endif c endif - if (lside) then + if (lside1) then do i=2,nres-1 do j=1,3 c(j,maxres2)=0.5D0*(2*c(j,i)+(c(j,i-1)-c(j,i))*vbld_inv(i)