>>> &wt TYPE='TEMP0', istep1=0, istep2=200,
>>> value1=0.1, value2=300.0, /
>>> &wt TYPE='END' /
>>
>> This is fast warming if the system is at all big.
> I've also tried a slower waring in 25000 steps and same result.
At what step did it fail? How many atoms?
You could also try putting a low-energy restraint on the solute while
warming.
Bill
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Received on Tue Jun 22 2010 - 12:30:04 PDT
