VMD-L Mailing List

From: Ropon-Palacios G. (groponp_at_gmail.com)
Date: Sun Aug 08 2021 - 23:31:54 CDT

Dear users,

made an SMD to generate different windows on the Z + axis, how can I write the files to be able to carry out the simulations of independent windows every 1 Angstrom?

 

My biggest problem is how to select for example every 1 angstrom, I have calculated the displacement in Z as (Zi-Z0) throughout the pulling, but I don't know how to make a for that writes every 1 angstrom (xsc and coord ) files--B_3711310316_1648763286--