[gmx-users] Re: grompp NOTE mdp file concerning steps

Claus Valka lastexile7gr at yahoo.de
Wed Nov 12 14:45:02 CET 2008


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?


--- Claus Valka <lastexile7gr at yahoo.de> schrieb am Mi, 12.11.2008:
Von: Claus Valka <lastexile7gr at yahoo.de>
Betreff: grompp NOTE mdp file concerning steps
An: gmx-users at gromacs.org
Datum: Mittwoch, 12. November 2008, 12:29


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?



-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20081112/abda5d83/attachment.html>

More information about the gromacs.org_gmx-users mailing list