[gmx-users] Handling a very large system

[Ken Rotondi]

Hi David,

Thanks as always.

How and where is the list of angles to be kept ridged written?

Thanks to all, always,

Ken

On Jul 22, 2005, at 3:00 AM, David van der Spoel wrote:

> On Thu, 2005-07-21 at 16:23 -0400, Ken Rotondi wrote:
>> Thanks David,
>>
>> Excuse me, I did mean...
>>
>> constraints = all-angles
>>
>> I had read about the issues with LINCS. Is it possible to apply the
>> constraints to a sub-set of the system?
>>
> not automatically, you have to supply a list of constraints then
>
>> Sincerely,
>>
>> Ken