[gmx-users] Handling a very large system

Ken Rotondi ksr at chemistry.umass.edu
Fri Aug 5 15:28:50 CEST 2005

Hi David,

Thanks as always.

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

Thanks to all, always,


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

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