Hello,
searching further the issue, I realized that no more than 32299167 number of
steps can be used. In case someone uses more, the note I describe makes its
appearance. Is this a new limit?
Regards,
Nikos
--- Claus Valka <[EMAIL PROTECTED]> schrieb am Mi, 12.11.2008:
Von: Claus Valka <[EMAIL PROTECTED]>
Betreff: grompp NOTE mdp file concerning steps
An: gmx-users@gromacs.org
Datum: Mittwoch, 12. November 2008, 12:29
Hello,
I'm using gromacs version 4.0 and when I type :
grompp -f file.mdp -c file.gro -p topol.top
I get this note:
NOTE 1 [file file.mdp, line unknown]:
and nothing else.
I checked my mdp file and I noticed than when I give 50000000 steps I get this
error (steps with more than 7 digits). If e.g. I give 5000000 steps I do not
get this message.
Testing it with previous versions I do not get this note-error.
Am I the only one facing this? Should I pay attention or is something trivial?
Regards,
Nikos
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