X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=files%2Frefine.sh;h=a997dbc1393db96337d9cbd27e551c765355c933;hb=1c260674ebd5c690868fadea76ecd86e8b7f0b74;hp=65f9274c9324538650dbdec6dd5c32202c48c261;hpb=e965db4a237f05d8ef5d1aa56b2494d1c54c067b;p=django_unres.git diff --git a/files/refine.sh b/files/refine.sh index 65f9274..a997dbc 100755 --- a/files/refine.sh +++ b/files/refine.sh @@ -50,6 +50,7 @@ $AMBERHOME/bin/sander.MPI \ $AMBERHOME/bin/ambpdb -p t.top stop.pdb rm $pdb +cp stop.pdb ${pdb}_ /users2/local/mmtsb/perl/convpdb.pl -amber -out generic_noh stop.pdb > $pdb rm tmp1.pdb z_tleap.pdb t.top t.crd leap.log noh.pdb zakresy.csv RST.dat restrt mdinfo stop.pdb