Re: reg Parameters

From: Kenno Vanommeslaeghe (kvanomme_at_rx.umaryland.edu)
Date: Sun Sep 29 2013 - 14:11:14 CDT

Re-read the instructions on my home page (linked in my previous message)
*carefully*.

You really cannot send out an e-mail every time NAMD gives you an error
message - that's very disrespectful of the experts' time. At the very
least, you have to carefully double-check whether you followed the
instructions correctly, and search the relevant support channels for
earlier occurrences of your problem (Incidentally, this subject has been
discussed elaborately on this list just last week.)

On 09/29/2013 09:35 AM, Vidhya Sankar wrote:
> Thank you sir for your previous reply.
> When i run the simulation i have got the Following error
> Fatal error on PE 0> FATAL ERROR: UNKNOWN PARAMETER IN CHARMM PARAMETER
> FILE ./toppar_water_ions.str
> LINE=*set nat ?NATC*
>
> I am using toppar_water_ions.str file for Potassium and Chloride ions
> How to solve it ?
> Is there is any tool to convert parameter file (charmm readble) to Namd
> readble ?
> Thanks in Advance

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