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(parent: 3e90ae6) | patch
Fixed g_rmsdist NOE calculation
authorCarlo Camilloni <carlo.camilloni@gmail.com>
Wed, 9 Apr 2014 22:38:08 +0000 (23:38 +0100)
committerCarlo Camilloni <carlo.camilloni@gmail.com>
Wed, 9 Apr 2014 22:38:08 +0000 (23:38 +0100)
commit6699864e1f06157a744667999f789b2e9b77769d
tree0d45f3974fc0752704198314c6cd61fe88efbdd2tree | snapshot
parent3e90ae6393b86d19090ff986d06c09d9aed6441fcommit | diff
Fixed g_rmsdist NOE calculation

This fix solve a series of bugs in NOE calculations:
1) incorrect number of frames in the calculation of the average distance
2) wrong selection of equivalent atoms
3) -equiv was wrongly documented

Change-Id: Icc6bbed0e1ba65774ad470c3edbd7a6a96e63ee6
src/tools/gmx_rmsdist.c diff | blob | history
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