Samik Bhattacharya wrote:
hi
i am simulating a membrane protein in POPC bilayer and for that i am
following justin's tutorial.it's a nice tutorial and is really helpful.
but i'm facing some problems in running the grompp command. after the
solvation when i am going to run grompp, it is generting an error as
follows --------
''Program grompp, VERSION 4.0.5
Source code file: toppush.c, line: 843
Fatal error:
Atomtype CA not found''
but is not CA the main chain alpha carbon...why is not grompp taking CA
then? i can't make out where the problem lies? i little help on this
shall be very encouraging.
If you're seeing this error, then you've done something wrong when combining
lipid.itp with the Gromos force field file.
-Justin
Thank You
Shamik
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--
========================================
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
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