[gmx-users] tpbconv question

[Marc Charendoff]

Hello,

      I'm trying to turn off a Na+ charge using tpbconv in 4.5.4. There is only 
one Na+ counterion in my simulation.  I create an index file, run tpbconv,  and 
my output file looks like the following:

[mcharend at xanadu C4_IS]$ tpbconv -s md.tpr -o mdn.tpr -n index.ndx -zeroq

...................

Reading toplogy and stuff from md.tpr
Reading file md.tpr, VERSION 4.5.4 (single precision)
500000 steps (1000 ps) remaining from first run.
Group     0 (         System) has  3037 elements
Group     1 (          Other) has    15 elements
Group     2 (            DRG) has    15 elements
Group     3 (            NA+) has     1 elements
Group     4 (          Water) has  3021 elements
Group     5 (            SOL) has  3021 elements
Group     6 (      non-Water) has    16 elements
Group     7 (            Ion) has     1 elements
Group     8 (            DRG) has    15 elements
Group     9 (            NA+) has     1 elements
Group    10 ( Water_and_ions) has  3022 elements
Group    11 (            NA+) has     1 elements
Select a group: 9
Selected 9: 'NA+'
Segmentation fault
[mcharend at xanadu C4_IS]$ 

The bottom of my index.ndx file looks like:

.................

[ NA+ ]
3037

Guidance appreciated. 

Thanks , Marc
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110929/8b4efd1e/attachment.html>