Sikandar Mashayak wrote:
I need to do water channel simulations... I have two gro files with
me...one for wall atoms and one for water atoms...assuming the
co-ordinates of atoms are appropriate, I just need to rename the indices
of each atom appropriately and append one file to another....I plan to
do it by hand...but it will be great if there is an automatic way of
doing it in gromacs?
This is a simple task that can be done with the Unix 'cat' command. Thus there
is no Gromacs tool that reproduces this function. A few seconds with a text
editor after concatenation to remove unnecessary title lines and box vectors and
you're done, assuming (as you've said) that all the coordinates are
appropriately defined. The whole process probably takes less typing than
sending this email :)
-Justin
thanks
sikandar
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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