[AMBER] [Amber]Not able to generate eq_density.cpptraj file while doing QM/MM calculations

From: Anita Meena <Anita.Meena.cys20.chemistry.iitd.ac.in>
Date: Tue, 08 Mar 2022 10:48:33 +0530

Hello everyone,
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.
please kindly help me in the same.

Thanks
Anita

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Received on Mon Mar 07 2022 - 21:30:01 PST