[gmx-users] gmx distance

[rose rahmani]

Hi

i'm doing umbella sampling. whenever i use gmx distance after pulling in
V.5.1.4 , i wouldn't have proper dist.xvg file.
I did what you said Mr.Justin ( as you refered me to this link
http://manual.gromacs.org/documentation/2018-latest/user-guide/cmdline.html#g-dist)
but still there are some problems.

[ ZnS ]
   1    2    3    4    5    6    7    8    9   10   11   12   13   14   15
  16   17   18   19   20   21   22   23   24   25   26   27   28   29   30
  31   32   33   34   35   36   37   38   39   40   41   42   43   44
 45..............

[ Protein ]
 761  762  763  764  765  766  767  768  769  770  771  772  773  774  775
 776  777  778  779  780  781  782  783  784  785  786

command; gmx distance -n index.ndx -f conf0.gro -select 'com of group "ZnS"
plus com of group "Protein"' -oxyz -oall
i exactly select index groups!!!
-------------------------------------------------------
Program:     gmx distance, VERSION 5.1.4
Source file: src/gromacs/selection/selectioncollection.cpp (line 616)
Function:    void gmx::SelectionCollection::setI
ndexGroups(gmx_ana_indexgrps_t*)

Inconsistency in user input:
Invalid index group reference(s)
  Cannot match 'group "ZnS"', because no such index group can be found.
  Cannot match 'group "Protein"', because no such index group can be found.

For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
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