From: Kushal Raj Roy (kushalrajroyfc_at_gmail.com)
Date: Mon Jul 26 2021 - 08:23:09 CDT
Hello Professor,
Please follow the given link. This information might help you.
https://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l.2020-2021/0582.html
On Mon, 26 Jul, 2021, 7:09 pm Dr. Anupama Tiwari, <anoopama.tiwari_at_gmail.com>
wrote:
> 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*
>
This archive was generated by hypermail 2.1.6 : Fri Dec 31 2021 - 23:17:11 CST