Mercurial > repos > chemteam > gromacs_extract_topology

diff test-data/posres_cid1.itp @ 0:9faa4f4b8b76 draft default tip

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/buildtools/topologyeditors commit ae026d4ea6fe2ebaa53611b86f9047941c7b899b"
author chemteam
date Thu, 27 Jan 2022 18:17:05 +0000
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/posres_cid1.itp	Thu Jan 27 18:17:05 2022 +0000
@@ -0,0 +1,45 @@
+
+[ position_restraints ]
+;  i funct       fcx        fcy        fcz
+   1    1       1000       1000       1000
+   2    1       1000       1000       1000
+   3    1       1000       1000       1000
+   4    1       1000       1000       1000
+   5    1       1000       1000       1000
+   6    1       1000       1000       1000
+   7    1       1000       1000       1000
+   8    1       1000       1000       1000
+   9    1       1000       1000       1000
+  10    1       1000       1000       1000
+  11    1       1000       1000       1000
+  12    1       1000       1000       1000
+  13    1       1000       1000       1000
+  14    1       1000       1000       1000
+  15    1       1000       1000       1000
+  16    1       1000       1000       1000
+  17    1       1000       1000       1000
+  18    1       1000       1000       1000
+  19    1       1000       1000       1000
+  20    1       1000       1000       1000
+  21    1       1000       1000       1000
+  22    1       1000       1000       1000
+  23    1       1000       1000       1000
+  24    1       1000       1000       1000
+  25    1       1000       1000       1000
+  26    1       1000       1000       1000
+  27    1       1000       1000       1000
+  28    1       1000       1000       1000
+  29    1       1000       1000       1000
+  30    1       1000       1000       1000
+  31    1       1000       1000       1000
+  32    1       1000       1000       1000
+  33    1       1000       1000       1000
+  34    1       1000       1000       1000
+  35    1       1000       1000       1000
+  36    1       1000       1000       1000
+  37    1       1000       1000       1000
+  38    1       1000       1000       1000
+  39    1       1000       1000       1000
+  40    1       1000       1000       1000
+  41    1       1000       1000       1000
+  42    1       1000       1000       1000