Re: [gmx-users] regarding x2top

2011-12-19 Thread Justin A. Lemkul
priya thiyagarajan wrote: hello sir, thanks for your reply.. The thing is i seperated my fattyacid portion from aminoacid.. so carbon missing its bond. That 1st carbon linked to c, one double bonded o and glu aminoacid... how i need to model my input.. shall i need to draw my fattyacid p

Re: [gmx-users] regarding x2top error

2011-12-18 Thread David van der Spoel
On 2011-12-19 07:15, priya thiyagarajan wrote: hello sir, i tried to produce rtp file using x2top command for my file HETATM 123 C BFC A 1 0.446 -0.085 2.419 1.00 0.00 C HETATM 124 O BFC A 1 0.234 -0.665 3.482 1.00 0.00 O HETATM 125 CA BFC