From: Radhika Anoop (radhikapisces_at_gmail.com)
Date: Wed Sep 09 2015 - 05:09:39 CDT
Thanks Julian and Josh. Thanks for your reply. I managed to generate PSF
file. As charm36 package had ATP and metal topology in separate files I
copied and pasted those with protein. After doing this PSF file generated
properly. Thanks anyways for your support
On Tue, Sep 8, 2015 at 9:49 PM, Julian Gamboa <
> description please!
> 2015-09-08 13:13 GMT-03:00 Josh Vermaas <vermaas2_at_illinois.edu>:
>> What was the script and what was the error message? Right now, there is
>> no possible way for us to help you, as we don't have a sufficient
>> description for what you did.
>> -Josh Vermaas
>> On 09/08/2015 12:55 AM, Radhika Anoop wrote:
>> I am using NAMD to simulate a protein with ATP and MG.I want to use
>> CHARM36 forcefileds. The topology files I found were top_all36_prot.rtf and
>> a stream file toppar_all36_na_nad_ppi.str for ATP. Unfortunately I am not
>> able to generate PSF files. When I mentioned two topology files in NAMD
>> script , error came because of more than one argument. Can anybody help me
>> to find the the proper way to do psf generation for protein with ATP and MG?
> ....Julián Niño....
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