Can you send me, off-list, the input file, topology files and a short
trajectory (with only 2 frames) so that I can try to reproduce this
behavior?
On Tue, 2015-04-14 at 16:38 +0800, wjli wrote:
> Dear Amber members,
>
> When I run mmpbsa.py ,there is an error:
> LengthError: length mismatch in energy vectors
> Error occured on rank 0.
> Exiting. All files have been retained.
>
> As Kenneth suggested,the mailing list(http://archive.ambermd.org/201311/0030.html) have the same question,but it is caused by running multiple protein systems at the same time.I didnt do so.
>
> I also view file amber_outputs.py (amber12/bin/MMPBSA_mods):
> class EnergyVector(list):
> """ list-derived class for holding energies that defines add and subtract
> methods to add and subtract different vectors term by term
> """
>
> #==================================================
>
> def __add__(self, other):
> # If other is a scalar, do scalar addition
> if isinstance(other, float) or isinstance(other, int):
> return EnergyVector([x + other for x in self])
> # Otherwise, vector addition
> if len(self) != len(other):
> raise LengthError('length mismatch in energy vectors')
> return EnergyVector([self[i] + other[i] for i in range(len(self))])
> ……
>
> There are 4 situations that will produce the error.But I dont understand what these mean.
>
> Look forward to your reply!
> Best wishes.
> wjli
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> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Tue Apr 14 2015 - 07:30:04 PDT
