shahrbanoo karbalaee wrote:
Dear justin
I hope u r ok.I make tfe 30%in water with genconf and genbox.after
that I minmized and equilbrated this mix solvent for 14ps.and with
command trjconv got the last pdb file.this file (last pdb file)was
solvated.gro(editconf).now I want to insert peptide in solvated.gro
but donot insert molecules tfe and spc in box.what do i do?
The tool to solvate structures is genbox:
genbox -cp peptide.gro -cs solvated.gro
...although you may not end up with 30% TFE, depending on which molecules get
deleted.
-Justin
thanks
--
========================================
Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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