[gmx-users] problem with force fields while running membrane protein simulation
Mark.Abraham at anu.edu.au
Fri Feb 4 09:58:20 CET 2011
On 4/02/2011 7:54 PM, Mohana lakshmi wrote:
> Dear all and Justin...
> I am trying to do membrane protein simulation by following justin's
> tutorial using gromacs 4.5.3 version. I selected ffG53a6 force field
> and pasted the content of lipid.itp file to the corresponding files as
> per the instructions in the tutorial but i got error (Fatal error:
> Atomtype CA not found) while running grompp command.
> I tried some other options by selecting different forcefields but the
> problem persist. I think gromacs is not accepting the file after
> modifications. Please kindly help me in this regard...
Don't try force fields randomly. You will normally be able to use one of
a very few possibilities, and preferably exactly the right one. I can
only suppose you haven't followed Justin's tutorial instructions closely
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