Dear all,
I seem to have a problem with my data file (attached), but I cannot understand what causes it. Could anybody help me please? it looks like the problem is in the angle section of the file, but I do not know why this happens.
Thank you very much
Anna
data.twochains (183 KB)
Dear all,
I seem to have a problem with my data file (attached), but I cannot
understand what causes it. Could anybody help me please? it looks like the
problem is in the angle section of the file, but I do not know why this
happens.
dear anna,
your data file header claims to have 2545 bonds, but there seem to be only
2543 bond definition. the parser will read on and choke on the first
angle definition.
did you edit the data file after creating with with topotools?
if yes, then there was a mistake, if no, please send me the
script code that generated it, because that would likely indicate
a bug in topotools that would need to be fixed ASAP since
the release of VMD 1.9 is near.
thanks.
axel.