Mercurial > repos > chemteam > gmx_rmsd

diff test-data/posre_cl.itp @ 0:7f64dd60f5d7 draft

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planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/gromacs commit 27f3e0b555b8178299ada42df33006e2f69b4e80
author chemteam
date Mon, 24 Oct 2022 22:12:01 +0000
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/posre_cl.itp	Mon Oct 24 22:12:01 2022 +0000
@@ -0,0 +1,5 @@
+
+[ position_restraints ]
+;  i funct       fcx        fcy        fcz
+  93    1        500        600        700
+  94    1        500        600        700