[gmx-users] Ewald sum./Open BSD

gmx at 4ka.mipt.ru gmx at 4ka.mipt.ru
Wed Jun 11 16:07:01 CEST 2003

>> ( so, now i dont use xtc formats for traj.)
>> Can it be the reason for crashing mdrun?

>not likely., How  about fftw? did you compile yourself?

 I have fftw-2.1.3 installed.
 I compiled it from ports .

> VBut normal ewald doesn't use it. How about your math library? Does it
> have working erf and erfc?

   It seems to work properly at first sight...


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