HI,
You need the parameters for SO4 in order to build the prmtop and inpcrd file in leap.
See this earlier post
http://archive.ambermd.org/200501/0128.html
And this
http://www.ccl.net/chemistry/resources/messages/1997/03/28.001-dir/index.html
Best Regards
Elvis Martis
Ph.D. Student (Computational Chemistry)
at Bombay College of Pharmacy
A Kalina, Santacruz [E], Mumbai 400098, INDIA
W www.elvismartis.in
Skype. adrian_elvis12
-----Original Message-----
From: ARMIN HODAEI [mailto:ahodaei15.ku.edu.tr]
Sent: Monday, February 20, 2017 4:23 PM
To: amber.ambermd.org
Subject: [AMBER] SO4 molecule xleap
Dear all,
I want to extract prmtop and inpcrd data from the Solvatebox, but AMBER does not identify SO4 molecule. Does anybody knows how can I add this molecule to the AMBER xleap?
Armin
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Received on Mon Feb 20 2017 - 04:00:02 PST
