On 2/2/18 8:01 AM, ZHANG Cheng wrote:
Dear Gromacs,
I am using:

gmx editconf -f protein.pdb -bf bf.dat -o bf.pdb

to assign b-factor values to "protein.pdb", which contains multiple pdb frames. However, 
the output "bf.pdb" only includes the first frame.

Can I ask is there a way to assign b-factor values to all the frames of one pdb 

Not within GROMACS. You'll have to write your own program or script to do this.



Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalem...@vt.edu | (540) 231-3129


Gromacs Users mailing list

* Please search the archive at 
http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!

* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

* For (un)subscribe requests visit
https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a 
mail to gmx-users-requ...@gromacs.org.

Reply via email to