Tinker pdbxyz does not take key file into account

[lukaszmilewski]

Hi,

i have an issue with pdbxyz tool.

Tinker pdbxyz does not take key file into account.

I am using the command:
pdbxyz my-file.pdb -key tinker.key

tinker.key file inside:
#forcefield
parameters /home/users/lmilewski/programs/force_field/charmm27.prm

The output is the same as default without key file (not this force field). Atom types are not corresponding with charmm27 force field.
What can I do to use force field which is not the default one?

Thanks for your help!

[zhi-wang]

Hi, I will move this issue to https://github.com/TinkerTools/tinker/issues

[zhi-wang]

Here is the link where Prof. Ren and Prof. Ponder answered your question. TinkerTools/tinker#103