Hi,
Am using the 2014 version.
One of the attempts i tried worked.
The one that didn't work gave me this output:
PARAMETER FILES:
0: 'solvated.prmtop', 77262 atoms, 25490 res, box: Orthogonal, 25490 mol, 24266 solvent, 201 frames
INPUT TRAJECTORIES:
0: 'solvated.inpcrd' is an AMBER restart file, no velocities, Parm solvated.prmtop (Orthogonal box) (reading 1 of 1)
1: 'prod3.netcdf' is a NetCDF AMBER trajectory containing velocities, Parm solvated.prmtop (Orthogonal box) (reading 100 of 2130)
2: 'prod13.netcdf' is a NetCDF AMBER trajectory containing velocities, Parm solvated.prmtop (Orthogonal box) (reading 100 of 2130)
Coordinate processing will occur on 201 frames.
REFERENCE FRAMES (1 total):
0: 'solvated.inpcrd', frame 1
Active reference frame for masks is 0
OUTPUT TRAJECTORIES:
'SPC3_proofp.netcdf' is a NetCDF AMBER trajectory, Parm solvated.prmtop: Writing 201 frames (1-Last, 1)
TIME: Run Initialization took 0.0000 seconds.
BEGIN TRAJECTORY PROCESSING:
.....................................................
ACTION SETUP FOR PARM 'solvated.prmtop' (3 actions):
0: [autoimage]
Anchor molecule is 1
The following molecules are fixed to anchor: 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54
25436 molecules are mobile.
1: [center :1-54 mass origin]
Mask [:1-54] corresponds to 3294 atoms.
2: [image origin center familiar]
Number of molecules to be imaged is 25490 based on mask '*'
----- solvated.inpcrd (1-1, 1) -----
100% Complete.
----- prod3.netcdf (1-100, 1) -----
0% 10%
61,3 Bot
________________________________________
From: Daniel Roe [daniel.r.roe.gmail.com]
Sent: Tuesday, November 11, 2014 1:46 PM
To: AMBER Mailing List
Subject: Re: [AMBER] cpptraj
Hi,
What version of cpptraj are you using? Do all test cases pass?
-Dan
On Tue, Nov 11, 2014 at 12:30 PM, Sylvester Tumusiime <stumusii.uno.edu> wrote:
>
> Hi Amber Users,
> I tried to run the following cpptraj command on prompt: cpptraj
> solvated.prmtop <ptraj_proof.in > ptraj_proof2.out
> and i got this error:
>
> cpptraj: posixio.c:284: px_pgin: Assertion `*posp == ((off_t)(-1)) || *posp
> == lseek(nciop->fd, 0, 1)' failed.
>
> Has anyone ever come across this?
>
> Sylvester
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Nov 11 2014 - 12:00:06 PST
