Re: [gmx-users] pdb2gmx -ss option

2012-01-16 Thread pithevenet
Thank you for your response. I use 3.3.3 version because it's this one which is installed on the cluster, and that is difficult to change it without causing any bug and a reviewing is in process for the webservice. So change it now should be difficult. To be able to select cysteins with the -ss

Re: [gmx-users] pdb2gmx -ss option

2012-01-16 Thread Mark Abraham
On 16/01/12, pitheve...@free.fr wrote: > > Dear all, > > I'm using the old 3.3.3 version of gromacs and I try to use the -ss option of > pdb2gmx to select interactively the ss bridge in my protein. > > But I don't remark any change between using -ss option and not using it. The > -inter o

[gmx-users] pdb2gmx -ss option

2012-01-16 Thread pithevenet
Dear all, I'm using the old 3.3.3 version of gromacs and I try to use the -ss option of pdb2gmx to select interactively the ss bridge in my protein. But I don't remark any change between using -ss option and not using it. The -inter option give me some interactive options such as lys or arg but

[gmx-users] pdb2gmx -ss option

2012-01-13 Thread Pierre THEVENET
Dear all, I'm using the old 3.3.3 version of gromacs and I try to use the -ss option of pdb2gmx to select interactively the ss bridge in my protein. But I don't remark any change between using -ss option and not using it. The -inter option give me some interactive options such as lys or arg but n