From: Dr. Anupama Tiwari (anoopama.tiwari_at_gmail.com)
Date: Mon Jul 26 2021 - 08:07:10 CDT
Hi Ashkan,
I am still getting the same error.
On Sun, Jul 25, 2021 at 8:36 PM Ashkan Shekaari <shekaari_at_email.kntu.ac.ir>
wrote:
> Dear friend,
> Use the file "toppar_water_ions_namd.str".
>
> ---
> ,Best
> Ashkan Shekaari
> PhD Candidate in Solid State Physics
> Department of Physics
> K. N. Toosi University of Technology, Tehran, 15875-4416, Iran
> <shekaari_at_email.kntu.ac.ir>
> <https://urldefense.com/v3/__https://scholar.google.com/citations?hl=en&user=LDzbXB4AAAAJ&view_op=list_works&sortby=pubdate__;!!DZ3fjg!qBxP9NbzXXXWbPocHmQzATU58DQnEFNa_CMpdVMt50ZR8amM_COVg1WIlNrH1WpIFw$ >
>
> ------------------------------
> *From: *"Dr. Anupama Tiwari" <anoopama.tiwari_at_gmail.com>
> *To: *"namd-l" <namd-l_at_ks.uiuc.edu>
> *Sent: *Sunday, July 25, 2021 6:37:10 PM
> *Subject: *namd-l: namd-I: Request for help in error fixing
>
> Respected NAMD users,
> I got this error after implementing the namd command in power shell for md
> simulation:
>
> Info: USING ARITHMETIC MEAN TO COMBINE L-J SIGMA PARAMETERS
> FATAL ERROR: UNKNOWN PARAMETER IN CHARMM PARAMETER FILE
> ./toppar_water_ions.str
> LINE=*set nat ?NATC*
> FATAL ERROR: UNKNOWN PARAMETER IN CHARMM PARAMETER FILE
> ./toppar_water_ions.str
> LINE=*set nat ?NATC*
>
> Kindly suggest a solution.
> --
>
>
> *Regards,Dr.Anupama Tiwari*
>
>
-- *Regards,Dr.Anupama TiwariAssociate Prof.Acropolis Institute Of Technology & Research, Indore*
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