priya thiyagarajan wrote:
hello sir,
Thanks for your reply..
As you suggest i tried with all available forcefield for my lipopeptide
but i am getting the same error,,
I have posted this link several times before:
http://www.gromacs.org/Documentation/How-tos/Adding_a_Residue_to_a_Force_Fi
hello sir,
Thanks for your reply..
As you suggest i tried with all available forcefield for my lipopeptide but
i am getting the same error,,
*Processing chain 2 'A' (16 atoms, 1 residues)
Warning: Starting residue BFC1 in chain not identified as Protein/RNA/DNA.
Problem with chain definition, or
On 20/12/11, priya thiyagarajan wrote:
> hello sir,
> i go through the manual and your link..
> i need to add BFC residue type in rtp file and residuetype.dat..
> thing is i need to include charges angles bonds dihedrals impropers for
> residue in my rtp file ,,
>
> i dono how to define it
hello sir,
i go through the manual and your link..
i need to add BFC residue type in rtp file and residuetype.dat..
thing is i need to include charges angles bonds dihedrals impropers for
residue in my rtp file ,,
i dono how to define its value..
mine is 14 carbon fattyacid..(BFC)
give some idea
priya thiyagarajan wrote:
hello sir,
Thanks for your reply..
i like to know is it better to do x2top for my whole protein instead of
seperating fattyacid from aminoacid to generate rtp file and top file
since mine is a cyclicheptapeptide..
so that i can use that top file for doing my energy
hello sir,
Thanks for your reply..
i like to know is it better to do x2top for my whole protein instead of
seperating fattyacid from aminoacid to generate rtp file and top file
since mine is a cyclicheptapeptide..
so that i can use that top file for doing my energy minimization ,position
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