projects
/
unres.git
/ blobdiff
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
raw
|
inline
| side by side
correction to 4P energy and csa examples
[unres.git]
/
examples
/
unres
/
CSA
/
4P
/
start.mat
diff --git
a/examples/unres/CSA/4P/start.mat
b/examples/unres/CSA/4P/start.mat
index
1b3d4bd
..
bb5b966
100755
(executable)
--- a/
examples/unres/CSA/4P/start.mat
+++ b/
examples/unres/CSA/4P/start.mat
@@
-23,7
+23,7
@@
setenv ROTPAR $DD/scgauss.parm
setenv TORPAR $DD/torsion_631Gdp.parm
setenv TORDPAR $DD/torsion_double_631Gdp.parm
setenv ELEPAR $DD/electr_631Gdp.parm
setenv TORPAR $DD/torsion_631Gdp.parm
setenv TORDPAR $DD/torsion_double_631Gdp.parm
setenv ELEPAR $DD/electr_631Gdp.parm
-setenv SIDEPAR $DD/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k
+setenv SIDEPAR $DD/sc_GB_opt.4P5_iter33_3r
setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3
setenv SCCORPAR $DD/rotcorr_AM1.parm
setenv SCPPAR $DD/scp.parm
setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3
setenv SCCORPAR $DD/rotcorr_AM1.parm
setenv SCPPAR $DD/scp.parm