Re: [AMBER] unexpected "vlimit exceeded for step" error

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Tue, 22 Jun 2010 12:19:50 -0700

>>> &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


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Received on Tue Jun 22 2010 - 12:30:04 PDT
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