Re: [gmx-users] Re: Protein in vacum

2013-01-28 Thread Shima Arasteh
Am I supposed to skip this step? Thanks for your reply. Sincerely, Shima ___ From: Dr. Vitaly Chaban vvcha...@gmail.com To: gmx-us...@gromuracs.org Sent: Monday, January 28, 2013 3:17 PM Subject: [gmx-users] Re: Protein in vacum Dear users, I have done

Re: [gmx-users] Re: Protein in vacum

2013-01-28 Thread Justin Lemkul
, but even those are not set in stone. -Justin Thanks for your reply. Sincerely, Shima ___ From: Dr. Vitaly Chaban vvcha...@gmail.com To: gmx-us...@gromuracs.org Sent: Monday, January 28, 2013 3:17 PM Subject: [gmx-users] Re: Protein in vacum Dear users, I have done

Re: [gmx-users] Re: Protein in vacum

2013-01-28 Thread Dr. Vitaly Chaban
, January 28, 2013 3:17 PM Subject: [gmx-users] Re: Protein in vacum Dear users, I have done simulation with my protein in water earlier successfully using CHARMM36 FF. Now, I am trying to simulate protein in vacum similar to the last simulation of protein-water. When I go to the NPT