On Tue, Mar 08, 2022, Anita Meena wrote:
>I am trying to doing QM/MM calculation for protein-ligand complex. But
>when i am using
>cpptraj complex_solv.top < eq_density.cpptraj
>command for preparing the MM files for CPMD , i am not able to
>generate/write the eq_density.cpptraj.
Can you (a) post what is in the "eq_density.cpptraj" file, which you are
using as input to cpptraj? (b) Copy and paste the exact error message you
are getting?
Your command above uses eq_density.cpptraj as an input file, so you would
not expect to "generate/write" it.
...thanks...dac
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Received on Tue Mar 08 2022 - 05:30:02 PST
