Ricardo O. S. Soares wrote:
Dear gmx users,
After merging two .gro files, I set a new numbering with genconf
-renumber. My results show that from the 10000th atom, the atom number
and its ID are no longer separated by at least one space:
75POP C216 9998 0.705 4.657 3.200 0.0000 0.0000 0.0000
75POP H16R 9999 0.694 4.548 3.182 0.0000 0.0000 0.0000
75POP H16S10000 0.612 4.712 3.173 0.0000 0.0000 0.0000
75POP C21710001 0.731 4.684 3.350 0.0000 0.0000 0.0000
Is this a limitation from genconf? Is it limited to 10K atoms? I find it
hard to be the case.
Yeah, I could write a post-processing script to add the spaces, but I'm
curious about this issue.
A .gro file has a fixed format:
http://manual.gromacs.org/online/gro.html
Is the spacing (or lack thereof) causing some problem? As far as I can see,
genconf (like other Gromacs tools) has done its job correctly.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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