[gmx-users] Re: Issue with GROMACS file format

SatyaK mail2mvskumar at yahoo.com
Tue Jul 24 14:18:17 CEST 2012


 Thanks Justin for your reply.

 Going by the Gromacs file format: "position (in nm, x y z in 3 columns,
each 8 positions with 3 decimal places)"

 It is not clear to me as to how many digits before the decimal point can a
coordinate column accepts in the Gro file- Is it 3 or 4 digits before the
decimal point? (If it is 3 digits before the decimal then there should be a
white space between coordinate columns.)

 Thanks,
 Satya.





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