X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fparmread.F;h=78d0afb903641d0f599ba1ffbcfa93016b0fbb72;hb=9a26354af2c68a12347d7f85ad158e3ba22fdd7d;hp=8fa2bad53e9100a439ea2fd9e7dd6702e8d1956c;hpb=14b55af23c7da34bfdc10f315551c8e01a3a906a;p=unres.git diff --git a/source/unres/src_MD-M/parmread.F b/source/unres/src_MD-M/parmread.F index 8fa2bad..78d0afb 100644 --- a/source/unres/src_MD-M/parmread.F +++ b/source/unres/src_MD-M/parmread.F @@ -1361,7 +1361,8 @@ c augm(i,j)=0.5D0**(2*expon)*aa(i,j) enddo enddo write(iout,*) "tube param" - read(itube,*) epspeptube,sigmapeptube,tubetranenepep + read(itube,*) epspeptube,sigmapeptube,acavtubpep,bcavtubpep, + & ccavtubpep,dcavtubpep,tubetranenepep sigmapeptube=sigmapeptube**6 sigeps=dsign(1.0D0,epspeptube) epspeptube=dabs(epspeptube) @@ -1369,7 +1370,8 @@ c augm(i,j)=0.5D0**(2*expon)*aa(i,j) pep_bb_tube=-sigeps*4.0d0*epspeptube*sigmapeptube write(iout,*) pep_aa_tube,pep_bb_tube,tubetranenepep do i=1,ntyp - read(itube,*) epssctube,sigmasctube,tubetranene(i) + read(itube,*) epssctube,sigmasctube,acavtub(i),bcavtub(i), + & ccavtub(i),dcavtub(i),tubetranene(i) sigmasctube=sigmasctube**6 sigeps=dsign(1.0D0,epssctube) epssctube=dabs(epssctube)