Can antechamber relax a structure in a small amount?

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What is the difference between L1 and L2 regularization in machine learning?

L1 and L2 regularization

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MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

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MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

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fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

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fatal error

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fatal error

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fatal error

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Justin Lemkul

No, antechamber generates force field parameters, which can then be used in subsequent minimization and dynamics runs.

Jamoliddin Razzokov

Actually I use the following command in order to equilibrate the system in Amber: sander -O -i $f.in -o $f.out -inf $f.inf -c 3roll.$l -ref 3roll.$l -r 3roll.$f -p 3roll.top -x 3roll$f.x -e 3roll$f.ene

Md Symon Jahan Sajib

Thanks all for helping.