From: Ashkan Shekaari (shekaari_at_email.kntu.ac.ir)
Date: Sun Jul 25 2021 - 10:06:27 CDT
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 [ mailto: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!rCftT8jHBHCpw_o7BB1VpTDHtZ6tTalz0zN-Rmd0y-yw6GTZRVzN_YmsQnHwMu0PpQ$ ]
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
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