[modeller_usage] can we keep track of the modeller optimization process
To:
Subject: [modeller_usage] can we keep track of the modeller optimization process
From: Li Xue <>
Date: Thu, 29 Jul 2021 12:08:18 +0200
Hello,
Is it possible that we could track all the details of the modeller conjugate gradients optimization process? For example, ask modeller at each optimization step to output the PDB coordinates, modeller molpdf energy terms and so on?