Hi,
I need some help about the single mutant script. The following is a warning message I found in the log file.
generat_607W> Cannot find params in params file: CHARMM atoms : C UNDF IUPAC atoms : C N Atom indices : 900 902 Residues : GLU PTR
Is this the problem relate to the version of the CHARMM?
Many thanks, Alex
On 4/2/19 7:52 AM, Alex Lian wrote: > I need some help about the single mutant script. The following is a > warning message I found in the log file. > > generat_607W> Cannot find params in params file: > CHARMM atoms : C UNDF > IUPAC atoms : C N > Atom indices : 900 902 > Residues : GLU PTR
It's a little difficult to tell out of context, but it looks like your PTR residue type (whatever that is) is missing bond parameters.
Ben Webb, Modeller Caretaker
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Alex Lian -
Modeller Caretaker