[gmx-users] Re: gmx-users digest, Vol 1 #212 - 15 msgs

Lynne Bilston l.bilston at unsw.edu.au
Wed Apr 17 12:03:35 CEST 2002


No fix, but g_energy from v 3.0 works fine with .edr files from the newer 
versions of mdrun. Let me know if you need the old binary, or just 
recompile it yourself.


I sent a small energy file to David, and debug output as I recall, but I 
don't think he could replicate it. Certainly Bert de Groot said he wasn't 
having problems with g_energy on his alpha machines.

I'm happy to dig the stuff out for you if it's helpful, although I'm a bit 
busy configuring my new dual athlon machines at the moment..


>I'm encountering a problem regarding g_energy in the same way as reported by
>Lynne E. Bilston one month ago (floating exception messages after invoking
>the g_energy program. I'm also running gromacs (v. 3.1.3) on a Digital Alpha
>machine under Tru64 Unix v.5.0. The same happens with gmxdump -e energy.edr
>| more. Does anyone know how to fix it?
>Thank you,

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