[gmx-users] error in index file
abhisek.mndl at gmail.com
Tue Apr 3 11:20:29 CEST 2018
I'm just having some issue creating index file for umbrella sampling.
I have a ligand:
Group 20 (NAP) has 73 elements
Now when I run following command:
gmx make_ndx -f npt.gro
and try to add NAP for index.ndx, only 6 elements were being added.
I don't understand the problem here.
NAP is clearly showing is of 73 elements, but how come it is showing me 6
elements when added to index file ?
Please help me out here.
*Senior Research Fellow*
*Structural Biology and Bioinformatics Division*
*CSIR-Indian Institute of Chemical Biology*
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