Hi,
You could try:
parm parm1
trajin traj1 parmindex 0
esander E1 …
run
clear trajin
parm parm2
trajin traj2 parmindex 1
esander E2 …
run
You could also load the trajectories as COORDS data sets with ‘loadcrd’ and
use ‘crdaction’.
Hope this helps,
-Dan
On Thu, Sep 2, 2021 at 1:07 PM Matthew Guberman-Pfeffer <
matthew.guberman-pfeffer.uconn.edu> wrote:
> Dear Amber Community,
>
> I’d like to run separate instances of esander using two different
> topologies loaded into the same cpptraj session. Is this possible? I don’t
> see an option for the esander command to specify which topology to use. I
> tried a sequential approach of loading in prmtop #1, running esander, then
> loading in prmtop #2 and running esander again, but the energies look
> identical, causing me to think that esander was always using the first
> loaded topology.
>
> Best,
> Matthew
>
>
>
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Received on Fri Sep 03 2021 - 13:30:03 PDT
