projects
/
unres.git
/ blobdiff
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
raw
| inline |
side by side
Mergowanie adasko do bartek
[unres.git]
/
PARAM
/
pot_tor_G631_DIL_ext.parm
diff --git
a/PARAM/pot_tor_G631_DIL_ext.parm
b/PARAM/pot_tor_G631_DIL_ext.parm
index
54577a7
..
946011d
100644
(file)
--- a/
PARAM/pot_tor_G631_DIL_ext.parm
+++ b/
PARAM/pot_tor_G631_DIL_ext.parm
@@
-1,5
+1,5
@@
3 *** Parameters derived by integrating MP2/6-31G** local energy surfaces ***
-1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 0
+1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 0 1
6 0 ** Gly-D-Pro-reg
1 -1.02141E+00 -1.21787E+00
2 2.66194E-03 1.01052E-02