LISTSERV - GLYCAM-L Archives - LISTSERV.UGA.EDU

GLYCAM-L Archives

Users of GLYCAM & GLYCAM-Web

GLYCAM-L@LISTSERV.UGA.EDU

	LISTSERV Archives
	GLYCAM-L Home

	Log In
	Register

	Subscribe or Unsubscribe

	Search Archives

Options:	Use Forum View Use Monospaced Font Show Text Part by Default Show All Mail Headers
Message:	[<< First] [< Prev] [Next >] [Last >>]
Topic:	[<< First] [< Prev] [Next >] [Last >>]
Author:	[<< First] [< Prev] [Next >] [Last >>]

Subject:	TIP3P water model - lammps data file doesn't include angle information.
From:	Naveen Kumar Vasudevan <[log in to unmask]>
Reply To:	Users of GLYCAM & GLYCAM-Web <[log in to unmask]>
Date:	Thu, 13 Jul 2017 23:02:31 -0400
Content-Type:	text/plain
Parts/Attachments:	text/plain (11 lines)

Dear GLYCAM users,

I solvated my structure with water (TIP3P ) using chimera and processed the mol2 file in AMBER to create top and crd files, when I convert them to LAMMPS data file, there is no information about water's angle. The bond information is available, I checked the atom type provided as well.

Also, why are the two hydrogen atoms in water model connected by a bond.

Thank you

Regards
Naveen

ATOM RSS1 RSS2

LISTSERV.UGA.EDU