[EMAIL PROTECTED] 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
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--
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.
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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