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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