X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fparmread.F;h=44998e37d4c539b5b805e1774d1f94273b5c7658;hb=153cbfdee6e22c0c33798211afef1ec4cf01c117;hp=29c5dec2ef12a7084a72ae040e6e1b966f56be22;hpb=9ef21c2b5b43e7df95867f2db2bd4529dcef9f44;p=unres.git diff --git a/source/unres/src_MD-M/parmread.F b/source/unres/src_MD-M/parmread.F index 29c5dec..44998e3 100644 --- a/source/unres/src_MD-M/parmread.F +++ b/source/unres/src_MD-M/parmread.F @@ -940,8 +940,10 @@ C bpp (i,j)=-2.0D0*epp(i,j)*rri ael6(i,j)=elpp6(i,j)*4.2D0**6 ael3(i,j)=elpp3(i,j)*4.2D0**3 +c lprint=.true. if (lprint) write(iout,'(2i3,4(1pe15.4))')i,j,app(i,j),bpp(i,j), & ael6(i,j),ael3(i,j) +c lprint=.false. enddo enddo C @@ -1140,7 +1142,7 @@ C bad(i,1)=-2*eps_scp(i,1)*rscp(i,1)**6 bad(i,2)=-2*eps_scp(i,2)*rscp(i,2)**6 enddo - +c lprint=.true. if (lprint) then write (iout,*) "Parameters of SC-p interactions:" do i=1,ntyp @@ -1148,6 +1150,7 @@ C & eps_scp(i,2),rscp(i,2),aad(i,1),bad(i,1),aad(i,2),bad(i,2) enddo endif +c lprint=.false. #endif C C Define the constants of the disulfide bridge