[gmx-users] Reordering of water molecules with Na+ ions coordinates in xtc file
karami.leila1 at gmail.com
Mon Jan 3 18:39:19 CET 2011
thanks for your reply
I have not experience in using python.
in [python -c 'r,a,b,c=range,1868,24086,24100;open("r.ndx","w").write("[x]\n"+"\n".join([str(i)
for i in r(1,a)+r(b,c)+r(a,b)]))'].
r.ndx contains all the atoms. is it true?
why did you use r,a,b,c=range,1868,24086,24100.
is r,a,b,c=range,1867,24085,24099 wrong?
Ph.D. student of Physical Chemistry
K.N. Toosi University of Technology
Theoretical Physical Chemistry Group
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