Re: [gmx-users] Alcohol Dehydrogenase MD simulation....Reg

2011-03-22 Thread Mark Abraham
On 23/03/2011 4:38 AM, Kishore wrote: Dear All, I had been in the look out for someone who has a reasonable amount of expertise in dealing with the MD simulation of an Alcohol Dehydrogenase. I have a problem dealing with the NADPH. I was unable to maintain the planarity of the carboxamide of

[gmx-users] Alcohol Dehydrogenase MD simulation....Reg

2011-03-22 Thread Kishore
Dear All, I had been in the look out for someone who has a reasonable amount of expertise in dealing with the MD simulation of an Alcohol Dehydrogenase. I have a problem dealing with the NADPH. I was unable to maintain the planarity of the carboxamide of the nicotinamide moiety in the simulation a