<div dir="ltr">Hello,<br>I have ran a simulation with gromac but can't seem to be able to extract a single structure of a determined frame from my .trr file. I wish to obtain a pdb file good for reading in CHIMERA, for example.<br>
I tryed the following command:<br>trjconv -f sim.trr -s trjtop.tpr -o pdbiwant.pdb -b 10000 -e 10000.<br>Some programs, spdbv, for example, completely mess up my structure, making bonds where it shouldn't etc etc. CHIMERA simply cannot find any coordinates in the file. But the .pdb generated from trjconv looks ok. I mean , there are coordinates and all.<br>
Any suggestions?<br>Thank you in advance<br>Fabrício Bracht<br></div>