[gmx-users] mindist during MD

[andrea spitaleri]

Hi sorry for the poor information.
I have used PME with rlist = rcoulomb = rvdw = 0.9 (as I said) and the g_mindist is between the
protein-protein system

thanks

Regards,

andrea

David van der Spoel wrote:
> spitaleri.andrea at hsr.it wrote:
>> Hi all,
>> my rlist = rcoulomb = rvdw = 0.9 and during my simulation I have mindist
>> 0.968 at 460 ps over 2ns total. the starting point was 1.8 and the
>> mindist fluctuates from 1 to 2. is it normal this kind of behaviour (so
>> spread I mean)? the box and the volume seem okay.
>> any help?
>>
>> thanks in advance
>> an't post? Read http://www.gromacs.org/mailing_lists/users.php
> 
> what mindist?
> what cutoff? PME or not?
> 

-- 
-------------------------------
Andrea Spitaleri PhD
Dulbecco Telethon Institute
c/o DIBIT Scientific Institute
Biomolecular NMR, 1B4
Via Olgettina 58
20132 Milano (Italy)
http://biomolecularnmr.ihsr.dom/
-------------------------------

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