[gmx-users] GMX Helix Segmentation fault

Budheswar Dehury bude at kemi.dtu.dk
Tue Oct 16 11:26:23 CEST 2018


Dear All,


Hello. I am doing analysis soem analysis of TM helix properties using the GMX helix tool of GROMACS 2018.2. Though, in someways its working in the old version 2016.2 but its not working in the latest 2018.2 version. I have appended the following error.


gmx helix -f ../md.xtc -s ../md.tpr -n index.ndx

Reading file ../md.tpr, VERSION 2018.2 (single precision)
Reading frame       0 time 200000.000   Please select a group containing the entire backbone
Group     0 (         System) has 201382 elements
Group     1 (        Protein) has 22327 elements
Group     2 (      Protein-H) has 11159 elements
Group     3 (        C-alpha) has  1414 elements
Group     4 (       Backbone) has  4242 elements
Group     5 (      MainChain) has  5651 elements
Group     6 (   MainChain+Cb) has  6978 elements
Group     7 (    MainChain+H) has  6986 elements
Group     8 (      SideChain) has 15341 elements
Group     9 (    SideChain-H) has  5508 elements
Group    10 (    Prot-Masses) has 22327 elements
Group    11 (    non-Protein) has 179055 elements
Group    12 (          Other) has 179055 elements
Group    13 (           POPC) has 40468 elements
Group    14 (           TIP3) has 138315 elements
Group    15 (            SOD) has   146 elements
Group    16 (            CLA) has   126 elements
Group    17 (  a_10743-11091) has   349 elements
Select a group: 17
Selected 17: 'a_10743-11091'
Checking group a_10743-11091
There are 21 residues
There are 19 complete backbone residues (from 2 to 20)
nall=349
Reading file ../md.tpr, VERSION 2018.2 (single precision)

Please help me to rectify this error or suggest any idea how should I get reed of this.

Thanking you
With Warm Regards
Budheswar




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