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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Received on Tue Apr 14 2015 - 02:00:02 PDT
