On Tue, Aug 06, 2019, Parviz Seifpanahi Shabane wrote:
>I loaded two different "frcmod" for salt (below), which one will be
>considered by T-leap?
>mods = loadAmberParams frcmod.ions1lm_126_hfe_opc
>mods = loadAmberParams frcmod.ions1lm_126_iod_opc
The last one loaded should over-ride the earlier ones. But you should
use parmed to be sure: use that tool to examine the Lennard-Jones
parameters that are actually in the prmtop file, and make sure they are
the ones you want.
....dac
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Received on Tue Aug 06 2019 - 09:30:02 PDT
