[gmx-users] read trr file
jalemkul at vt.edu
Wed Nov 26 04:31:43 CET 2014
On 11/25/14 9:04 PM, 石锐 wrote:
> Hi all,
> I have generated a large .trr file (~500 G) from a simulation. To save the space, I just want to write a C/C++ code to read and manipulate the binary .trr file directly rather than convert it to a readable .gro or .pdb file. However, I cannot find the format of .trr file from the manual. Is there anyone who knows how to read the .trr file ?
The XDR library can be used to do this:
Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
More information about the gromacs.org_gmx-users