Re: [AMBER] T-leap.

From: David A Case <>
Date: Tue, 6 Aug 2019 12:24:16 -0400

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.


AMBER mailing list
Received on Tue Aug 06 2019 - 09:30:02 PDT
Custom Search