Sven Benson wrote:
Hello everybody,
I was wondering if the gro file format somehow supports systems that are
greater than 99999 molecules (not atoms), since the first column is
fixed to size 5.
Anybody know a way around this problem? I've tried working with pdb, but
GROMACS seems to ignore all entries with atom numbers larger than 99999
atoms in this format as well.
What command is ignoring atoms? I've never had problems with systems >99,999
atoms. At 100,000 the numbers start over from zero, but you can still make
index files that will then contain proper atom numbers (100,000 and beyond).
-Justin
Anybody know a way around this problem? I'd appreciate any helpful
pointers.
Cheers
Sven
--
========================================
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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