it would be more helpful to include the output from leap (it is in your
leap.log file). Was there an error message?
On Sat, Apr 10, 2021 at 9:55 PM 马芳芳 <mafangfang0411.mail.dlut.edu.cn> wrote:
> Hi,
>
> Recently, I'm learning how to use tleap to add a water box to the reaction
> system and counter ions to complete the model system within the Amber
> software. For my system, it is negatively charged, so I want to add Na+ to
> counter it. I found that the water box and ions can be added successfully.
> However, when the saveamberparm command is executed, the profiles *.prmtop
> and *.inpcrd cannot be saved. When I delete the Addions command, the
> profiles can be saved. I did not find the problem with my input file. Would
> you please so kind to help me out? Attached profiles water+Na.zip is the
> input files. I am looking forward to your reply.
>
> Best wishes and stay safe.
>
> Fangfang Ma _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Apr 11 2021 - 04:00:02 PDT
