[gmx-users] Probable error in trjcat; skipping frames

Dear gmx-users, I intended to concantanate two trajectories with no similar time frames i.e., both files have distinct time frames. But once I combine the files many time frames are skipped, details are as follows: File 1 has 2175 frames File 2 has 1232 frames I used the following command to con

[gmx-users] Re: Probable error in trjcat; skipping frames

. Do you attribute this to Gromacs4.5beta2 version? Is there a possible bug in that version for trjcat? Regards, Lipi Lipi Thukral wrote: > Dear gmx-users, > > I intended to concantanate two trajectories with no similar time frames > i.e., both files have distinct time frames. But once I

[gmx-users] Re: Re: Probable error in trjcat; skipping frames

x27;t understand but its clear that the two files do not have the same time-frames so why is trjcat skipping the frames? Regards, Lipi On 4/27/2011 3:51 PM, Lipi Thukral wrote: > Hi Justin, > > I am using Gromacs 4.5 beta-2. > gmxcheck with file 1 and file 2 tells me exactly the num

[gmx-users] xdrfile library, read co-ordinates from .xtc

&prec_xtc); printf("%f %f %f\n",x_xtc[0],x_xtc[1],x_xtc[2]); The coordinates in the variable x_xtc seems to be random. How do I access the proper coordinates from the trajectory? I would appreciate any help. Thanks, Lipi -- ------- Li