Jenny Hsu wrote:
Dear Justin:
I try to include lipid.itp into ffgmxnb.itp
and I also tried to add the different sections [ atomtypes ], [ pairtypes ],
etc... of the lipid.itp files to ffgmx* files
All you should have to do is copy all the sections of lipid.itp into
ffgmxnb.itp, with the exception of the [ dihedraltypes ], which goes in
ffgmxbon.itp. I'm not clear what exactly you've done based on your description.
-Justin
but when i run grompp, i got another fetal error
"Atomtype 'C' not found"
Jenny
2008/11/25 Justin A. Lemkul <[EMAIL PROTECTED] <mailto:[EMAIL PROTECTED]>>
Jenny Hsu wrote:
Hi all
when i run grompp
but it gives "Atomtype LC3 not found"
Could anyone explain me briefly?
There's lots of information about this type of error in the list
archives. Take, for example:
http://www.gromacs.org/pipermail/gmx-users/2004-August/011867.html
-Justin
Jenny Hsu
--------------------------------------------------
Jenny Hsu, Biotechnology Dept.,
Ming Chuan University, Taiwan, R.O.C
------------------------------------------------------------------------
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--
========================================
Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu <http://vt.edu/> | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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--
Jenny Hsu, Biotechnology Dept.,
Ming Chuan University, Taiwan, R.O.C
--
========================================
Justin A. Lemkul
Graduate Research Assistant
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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