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nanophere working
[unres.git]
/
source
/
unres
/
src_MD-M
/
parmread.F
diff --git
a/source/unres/src_MD-M/parmread.F
b/source/unres/src_MD-M/parmread.F
index
8fa2bad
..
b80095b
100644
(file)
--- a/
source/unres/src_MD-M/parmread.F
+++ b/
source/unres/src_MD-M/parmread.F
@@
-1369,7
+1369,8
@@
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
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)
sigmasctube=sigmasctube**6
sigeps=dsign(1.0D0,epssctube)
epssctube=dabs(epssctube)