Θέμα: Re: Θέμα: Re: [gmx-users] cyclic peptides

aining the new atom, fair enough. I then went to the *.itp file of that chain, and filled in the data missing (around 7-8, easy enough). And it seems to work know!David van der Spoel <[EMAIL PROTECTED]> έγραψε: Efi Mantzourani wrote:> Hi David,> > had a look for the specbond entry,

Θέμα: [gmx-users] *.xvg to jpeg/pdf/png

You can also import xvg files in excel, nice and simple. Plot your data after that.Arindam Ganguly <[EMAIL PROTECTED]> έγραψε: Hi gmx-users,i have a energy.xvg file, but i am not able to convert it to a jpeg, pdf or png format. in fact any cross platform format so that i can print out or send it fo

Θέμα: Re: [gmx-users] cyclic peptides

Hi David,had a look for the specbond entry, but apparently it is for creating a bond between ligand and receptor. I don't have that. Mine is not a special bond. it is just that pdb2gmx tries to find a terminus for all the chains. David van der Spoel <[EMAIL PROTECTED]> έ

[gmx-users] cyclic peptides

Hi all,I am trying to run a gromacs trajectory on a ligand-receptor complex, where the ligand is a head-to-tail cyclic peptide. I add the -ter option in the pdb2gmx command, so that i can turn off the charged termini in the peptide. Unfortunately, it will only work keeping the N terminus as