Samik Bhattacharya wrote:
hi
i am new to Gromacs. i want to simulate a protein inside a lipid
box(preferably POPC or POPE). i have generated the protein inside the
POPC box complex. But whenever i am going to build the .gro and .top
file of that complex with pdb2gmx an error is creeping in saying "Cant
find POP in residue topology database". it cant recognise the lipid.itp
and popc.itp files which i've already put into the top directory.
plese help me out.
I would first recommend some tutorial material on simple systems of proteins in
water before tackling a membrane protein, which is considerably more complicated.
Then, I will suggest you try the following tutorial:
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/membrane_protein/index.html
-Justin
thank you
------------------------------------------------------------------------
Explore and discover exciting holidays and getaways with Yahoo! India
Travel Click here!
<http://in.rd.yahoo.com/tagline_Travel_1/*http://in.travel.yahoo.com/>
------------------------------------------------------------------------
_______________________________________________
gmx-users mailing list [email protected]
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 [email protected].
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
_______________________________________________
gmx-users mailing list [email protected]
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 [email protected].
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
