[gmx-users] how to get a minimized structure pdb

2012-04-02 Thread balaji nagarajan
Dear Users ! I have done a minimization for a tetrapeptide in a water box with conjugate gradient minimization of 1000 steps when I convert it to pdb as below trjconv -f em.trr -o min.pdb -s em.tpr EOF 0 EOF the out put pdb has many structures as

[gmx-users] how to get a minimized structure pdb

2012-04-02 Thread balaji nagarajan
Dear Users ! I have done a minimization for a tetrapeptide in a water box with conjugate gradient minimization of 1000 steps when I convert it to pdb as below trjconv -f em.trr -o min.pdb -s em.tpr EOF 0 EOF the out put pdb has many structures as

Re: [gmx-users] how to get a minimized structure pdb

2012-04-02 Thread Mark Abraham
On 03/04/12, balaji nagarajan balaji_se...@hotmail.com wrote: Dear Users ! I have done a minimization for a tetrapeptide in a water box with conjugate gradient minimization of 1000 steps when I convert it to pdb as below trjconv -f em.trr -o min.pdb