[gmx-users] x2top & Library file ffG43a1.n2t

[David van der Spoel]

kinshuk at chem.iitb.ac.in wrote:
> Hi all,
> I have been trying to generate .rtp, .top files from having input of .gro
> file for particular molecule in gromacs. I tried this with (x2top) command
> implemented in gromacs but i have encountered a problem while executing
> this command , that i am mentioning below.
> 
> Fatal error: Library file ffG43a1.n2t not found in current dir nor in
> default directories.
> (You can set the directories to search with the GMXLIB path variable.)
> 
> So how do i will be able to resolve this problem.
> If i will be getting any help i will be very thankful for you.
> 
for gromos force fields it is recommended to use prodrg, for opls you 
can use x2top, in both cases with manual checks and many modification of 
the topology may be needed.



> Kinshuk Raj Srivastava
> IIT-Bombay
> India
> 
> 
> _______________________________________________
> gmx-users mailing list    gmx-users at 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-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
> 
> 
> _______________________________________________
> gmx-users mailing list    gmx-users at 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-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php


-- 
David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se