Dear AMBER users,
I just updated mine to amber 14, but I am still receiving the same problem "segmentation fault" when I run the native contact for my molecule (20 residues). I don't know what I did wrong.
Thank you again!
On Tuesday, April 22, 2014 8:20 AM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
Hi,
Which version of cpptraj are you running (cpptraj --version)? If you
are not using version 14.00 I recommend you upgrade to AmberTools 14
(
http://ambermd.org/AmberTools14-get.html).
-Dan
On Mon, Apr 21, 2014 at 11:59 PM, kara tuong vi <karatuongvi44.yahoo.com> wrote:
> Dear Amber Users,
>
> I am trying to find the native contact for my molecule, but I keep getting "segmentation fault". I decided to use a smaller molecule with about 20 residues: TC5b_linear.pdb
> The command I had was: cpptraj -p polyAT_wat.prmtop < testing_contact.in
> The script for "testing_contact.in":
> trajin polyAT_wat_md1.mdcrd
> contacts first byresidue out testing_md1.out distance 6.0 .CA
>
> Thank you in advance!
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--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Thu Apr 24 2014 - 17:00:02 PDT
