Hi Arkinyemi,
The update.3 of AmberTools21 is about changing the leaprc.water.opc, leaprc.water.fb3, and leaprc.water.fb4 files to load the recently published ion parameters for the OPC, TIP3P-FB, and TIP4P-FB water models, respectively.
If you did not apply the update.3 of AmberTools21 when installed AmberTools21, attached are the three updated leaprc files which you can use to overwrite the corresponding old files in the AMBER source code directory and AMBER installation directory.
Pengfei
> On May 30, 2021, at 7:05 AM, David A Case <david.case.rutgers.edu> wrote:
>
> On Sun, May 30, 2021, Akinyemi Omoniyi wrote:
>>
>> I'm following the amber tutorial and loading all the parameters but got an
>> error message "Error: Could not open file frcmod.ions1lm_126_hfe_opc: not
>> found"
>
> Looks like the tutorial has fallen out of date: these water/opc files were
> reorganized recently. Can you say which tutorial you are running?
>
>>> loadamberparams frcmod.ions1lm_126_hfe_opc
>
> I think you should be able to just remove this line from your input. The
> leaprc.water.opc file in AmberTools21 should be loading the proper ion
> parameters. (If that somehow fails, remove the "_126" from the file name
> above.)
>
> ...dac
>
>
> _______________________________________________
> 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 Wed Jun 09 2021 - 16:00:02 PDT
