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<DIV><FONT face=Arial size=2> Hi people,
<DIV><FONT face=Arial size=2> I'm a beginner at GROMACS
and already have some douts:</FONT></DIV>
<DIV><FONT face=Arial size=2> 1 - How do I do to continue
a calculation (minimization or dinamics) using the file generated in the last
calculation ?</FONT></DIV>
<DIV><FONT face=Arial size=2> 2 - Why sometimes happen that
the algoritm cg simply stops the calculation whithout converging and also
whithout giving the traditional message: "cg didn't converge after n steps
?". Apparently, the calculation continues going on but the programe
stops to write the results in the after_em file.</FONT></DIV>
<DIV><FONT face=Arial size=2> 3 - When steeepest descent give
a value of Fmax = inf what do I do ? And why this happen ?</FONT></DIV>
<DIV><FONT face=Arial size=2> Best whises,</FONT></DIV>
<DIV><FONT face=Arial size=2> Tanos Franca</FONT></DIV>
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