Hello, Simple question. I am running constraint pulling and getting the .xtc and .tpr output files in order to create a pdb video using trjconv. I am running simulations on a cluster, and so a pbs script must be submitted with the necessary commands. When using trjconv command, the group must subsequently be specified. Is there any way to modify the below command to also select a specific group (i.e. - 1 for 'Protein'). For example, when using mdrun, the -ff option can be used to specify which forcefield to use. Is there something similar to this with regards to the group selection when using trjconv? Thanks.
trjconv -s peptide.tpr -f trajectory.xtc -o pullvideo.pdb ______________________________ Venkatesh Hariharan Pennsylvania State University Schreyer Honors College Undergraduate - Bioengineering "You must be the change you wish to see in the world." --Mohandas Karamchand Gandhi
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