noob noob wrote:
Dear all,
I am new about MD simulation and I have some questions about the box
size.
I had performed 1 simulation previously ( box size of 5 nm x 5 nm x 5
nm ) but now I change to a bigger molecules and increase the number of
molecules. So,the new system cannot fix into the previous box.
Therefore, I tried to Increase my box to a bigger one ( 20 nm x 20 nm
x 20 nm) which can fix the system nicely.
Hi,
did you use the "-d" option in editconf to create the box size?
So, is it compulsory to use certain box size in our system? or we just use
any box size which our molecules can fix into it, then perform MD?
Sorry for the "stupid" questions.
thanks for the comments.
Alvin Chan.
------------------------------------------------------------------------
See all the ways you can stay connected to friends and family
<http://www.microsoft.com/windows/windowslive/default.aspx>
------------------------------------------------------------------------
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
--
___________________________________________________________
Ricardo Oliveira dos Santos Soares
Post-graduation Student in Biological Physics
University of Sao Paulo - USP
Faculty of Farmaceutical Sciences of Ribeirao Preto - FCFRP
Phone: 55 (16) 3602-4840
Curriculum Lattes - http://lattes.cnpq.br/0777038258459931
___________________________________________________________
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
