Re: [gmx-users] Fw: modifying the mutated DNA parameters

2011-12-25 Thread banafsheh mehrazma
: Discussion list for GROMACS users Sent: Sunday, December 25, 2011 10:58 AM Subject: Re: [gmx-users] Fw: modifying the mutated DNA parameters On 12/25/2011 6:04 PM, banafsheh mehrazma wrote: Dear Mark; >Thank you for your instant reply. You are right, but in my case, there is a >residue  

Re: [gmx-users] Fw: modifying the mutated DNA parameters

2011-12-24 Thread Mark Abraham
On 12/25/2011 6:04 PM, banafsheh mehrazma wrote: Dear Mark; Thank you for your instant reply. You are right, but in my case, there is a residue 8-OxoG (oxidized G). As you know, in all of the force fields in Gromacs package, G,C,A and T are known. In your opinion, what should I do in case of

Re: [gmx-users] Fw: modifying the mutated DNA parameters

2011-12-24 Thread banafsheh mehrazma
residue?     Thank you    B.Mehrazma From: banafsheh mehrazma To: gmx-users@gromacs.org Sent: Saturday, December 24, 2011 3:11 PM Subject: [gmx-users] Fw: modifying the mutated DNA parameters --- On Sat, 12/24/11, banafsheh mehrazma wrote: >F

Re: [gmx-users] Fw: modifying the mutated DNA parameters

2011-12-24 Thread Mark Abraham
On 12/24/2011 10:41 PM, banafsheh mehrazma wrote: --- On *Sat, 12/24/11, banafsheh mehrazma //* wrote: From: banafsheh mehrazma Subject: To: gmx-users@gromacs.org Date: Saturday, December 24, 2011, 3:39 AM To whom it may concern; I am willing to study a damaged DNA w

[gmx-users] Fw: modifying the mutated DNA parameters

2011-12-24 Thread banafsheh mehrazma
--- On Sat, 12/24/11, banafsheh mehrazma wrote: From: banafsheh mehrazma Subject: To: gmx-users@gromacs.org Date: Saturday, December 24, 2011, 3:39 AM To whom it may concern; I am willing to study a damaged DNA which has a 8-oxoG as the lesion (the Carbon 8 in guannine is oxidized.).