biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ blobdiff
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
raw
| inline |
side by side
Reimplement constant acceleration groups
[alexxy/gromacs.git]
/
src
/
gromacs
/
gmxpreprocess
/
tests
/
refdata
/
GetIrTest_AcceptsElectricFieldOscillating.xml
diff --git
a/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricFieldOscillating.xml
b/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricFieldOscillating.xml
index 7e439fa8b5fb80babed83e495fc003e9d13d2970..53a4f45999cfade268f11b6add23d8ba59fe86ba 100644
(file)
--- a/
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricFieldOscillating.xml
+++ b/
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricFieldOscillating.xml
@@
-264,6
+264,8
@@
dh_hist_size = 0
dh_hist_spacing = 0.1
; Non-equilibrium MD stuff
+acc-grps =
+accelerate =
freezegrps =
freezedim =
cos-acceleration = 0