Mercurial > repos > chemteam > gmx_setup

diff test-data/minim.mdp @ 14:1d4dd4f908d4 draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/gromacs commit 2f3d14b4f200100881e362b0f3b97f0e8a36d1f3"
author chemteam
date Wed, 29 Sep 2021 07:42:14 +0000
parents 4da9ee404eab
children
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--- a/test-data/minim.mdp	Mon Nov 23 10:46:34 2020 +0000
+++ b/test-data/minim.mdp	Wed Sep 29 07:42:14 2021 +0000
@@ -11,4 +11,5 @@
 rcoulomb      = 1.0    ; Short-range electrostatic cut-off
 rlist       = 1.0 ; Cut-off distance for the short-range neighbor list.
 rvdw        = 1.0    ; Short-range Van der Waals cut-off
-pbc            = xyz     ; Periodic Boundary Conditions (yes/no)
\ No newline at end of file
+pbc            = xyz     ; Periodic Boundary Conditions (yes/no)
+gen-seed       = 1