AMBER Archive (2009)
Subject: Re: [AMBER] Strange contacts with water molecules
From: Jordan MONNET (monnet.jordan_at_free.fr)
> This does look pretty weird. Do you have the prmtop and original
I do and it looks ok.
> If you watch the trajectory file can you see where things start going
I am not sure but it seems to become weird with the production process
> ndfmin and ntcm are 'very' deprecated. I have to go back to AMBER
As you well noticed, I updated AMBER 7 to AMBER 10 but I did the
Thank you so much, I will look into my input file and make it better !
-- Jordan MONNET (3rd grade student) Bachelor in Biology & Computer science University of Paris Diderot (Paris VII) Phone: +336 20 70 24 93