Xavier Periole wrote:
On Tue, 15 Jan 2008 16:32:54 +0100
Velia Minicozzi [EMAIL PROTECTED] wrote:
Dear gromacs users,
I have two identical peptides which should bind one metal ion. I guess
I have not understood how I can make this bond.
I labeled the two peptides with different chain
Thank you Xavier,
but I still have problems because when I use merge, pdb2gmx doesn't want
that the second peptide has NH3+ and COO- as terminals and doesn't
understand if I use -ter when I am using -merge, so doesn't create the
top file.
What do you exactly mean for the numbering of atoms
On Wed, 16 Jan 2008 22:29:31 +0100 (CET)
Velia Minicozzi [EMAIL PROTECTED] wrote:
Hi Xavier,
I think it works I just deleted the 3 H at the N-terminus of the second
chain and when I used merge in pdb2gmx it worked!
Thanks a lot!
Cool.
What I meant with the atom numbers is that now you can
Dear gromacs users,
I have two identical peptides which should bind one metal ion. I guess
I have not understood how I can make this bond.
I labeled the two peptides with different chain identifier otherwise
pdb2gmx does not understand that they are two peptides and not one
protein. The metal
On Tue, 15 Jan 2008 16:32:54 +0100
Velia Minicozzi [EMAIL PROTECTED] wrote:
Dear gromacs users,
I have two identical peptides which should bind one metal ion. I guess
I have not understood how I can make this bond.
I labeled the two peptides with different chain identifier otherwise
pdb2gmx
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