From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Tue Feb 02 2010 - 04:56:41 CST
On Tue, Feb 2, 2010 at 12:52 AM, ipsita basu <ibasu788_at_gmail.com> wrote:
> Dear all,
> I use rigidbonds and settle on. So please tell me what should be
> done to solve it.
what is there to solve??
> On 2/1/10, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:
>> On Mon, Feb 1, 2010 at 6:40 AM, ipsita basu <ibasu788_at_gmail.com> wrote:
>> > Dear all,
>> > I am running simulations using namd. My input is attached
>> > with
>> > it. When I see the final picture of my system in vmd, there are bonds
>> > between H and H in water molecules. I observe this for two systems.
>> > Please
>> > tell me what is the problem in my script. Please help me.
>> please learn to help yourself, instead of bombarding a mailing list
>> with all kinds of unreflected questions!
>> this is a rather frequent question and has been answered on this
>> list and on the vmd list many times. there is no problem with your
>> hint:: there are multiple ways to constrain a water molecule,
>> so its internal coordinates do not change.
>> > Thanking You
>> > Ipsita Basu
>> > --
>> > Ipsita Basu
>> > Research Fellow
>> > c/o : Dr. Chaitali Mukhopadhyay
>> > Rajabazar Science College
>> > 92 APC Road
>> > Kolkata - 700009
>> Dr. Axel Kohlmeyer akohlmey_at_gmail.com
>> Institute for Computational Molecular Science
>> College of Science and Technology
>> Temple University, Philadelphia PA, USA.
> Ipsita Basu
> Research Fellow
> c/o : Dr. Chaitali Mukhopadhyay
> Rajabazar Science College
> 92 APC Road
> Kolkata - 700009
-- Dr. Axel Kohlmeyer akohlmey_at_gmail.com Institute for Computational Molecular Science College of Science and Technology Temple University, Philadelphia PA, USA.
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