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diff test-data/posre_cl.itp @ 0:a5afe283962d draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/gromacs commit 0941b05e72c90bcf5521efa52767390864be5033"
author chemteam
date Wed, 01 Dec 2021 15:34:01 +0000
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/posre_cl.itp	Wed Dec 01 15:34:01 2021 +0000
@@ -0,0 +1,5 @@
+
+[ position_restraints ]
+;  i funct       fcx        fcy        fcz
+  93    1        500        600        700
+  94    1        500        600        700