On Tue, Jan 19, 2016, Bin Wang wrote:
> > > The leapin file I used is shown below:
> > > source leaprc.lipid14
> > > source leaprc.ff12SB
> > > loadoff /opt/amber14/dat/leap/lib/lipid14_supp.lib
> > > loadamberparams frcmod.ionsjc_tip3p
> > > m = loadpdb membrane.pdb
You need to look carefully for errors in the first line. Just type
"tleap -f leaprc.lipid14" and look carefully for any error messages you
might get. Or, examine the leap.log file you have from the above, find
the lines that run loadamberparams on lipid14.dat, and look for any errors
there.
[Developers: we should consider the pros and cons of having errors in loading
files be fatal -- that way the corresponding error messages would be less
likely to missed. Downside is that some existing scripts will start to
fail...may be some other downsides as well.]
....dac
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Received on Tue Jan 19 2016 - 09:30:02 PST
