git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7489 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2012-01-09 23:45:41 +00:00
parent 876112a0c6
commit 3cf4cb2706
4 changed files with 0 additions and 0 deletions
--- a/examples/gpu/in.gpu.rhodo
+++ b/examples/gpu/in.gpu.rhodo
@ -0,0 +1,36 @@
+# Rhodopsin model
+
+newton off
+package 	gpu force/neigh 0 1 1
+
+variable	x index 2
+variable	y index 2
+variable	z index 2
+
+units           real  
+neigh_modify    delay 5 every 1   
+
+atom_style      full  
+bond_style      harmonic 
+angle_style     charmm 
+dihedral_style  charmm 
+improper_style  harmonic 
+pair_style      lj/charmm/coul/long/gpu 8.0 10.0 
+pair_modify     mix arithmetic 
+kspace_style    pppm/gpu 1e-4 
+
+read_data       data.rhodo
+
+replicate	$x $y $z
+
+fix             1 all shake 0.0001 5 0 m 1.0 a 232
+fix             2 all npt temp 300.0 300.0 100.0 &
+		z 0.0 0.0 1000.0 mtk no pchain 0 tchain 1
+
+special_bonds   charmm
+ 
+thermo          100
+thermo_style    multi 
+timestep        2.0
+
+run		1000