Re: Protein moving out of box during npt simulation

From: bharat gupta (bharat.85.monu_at_gmail.com)
Date: Tue Jul 05 2011 - 00:33:30 CDT

Hi,

During my npt equilibration step of 30000 steps with PBC , the protein moves
out of the box. In that case do I have to do the equilibration again. or
what else has to be done ??

-- 
Bharat
Ph.D. Candidate
Room No. : 7202A, 2nd Floor
Biomolecular Engineering Laboratory
Division of Chemical Engineering and Polymer Science
Pusan National University
Busan -609735
South Korea
Lab phone no. - +82-51-510-3680, +82-51-583-8343
Mobile no. - 010-5818-3680
E-mail : monu46010_at_yahoo.com

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