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AMBER Archive (2009)Subject: [AMBER] RE:xleap problem
From: oguz gurbulak (gurbulakoguz_at_yahoo.com)
Dear D Case,
I again run some experiments according to your advices and my min.out file is like in below. I used packmol, I wrote box size for x, y, z : 9.825 A and created a packmol pdb file for this system. So I didn't use solvatebox command in xleap. I thought that there is a problem about using packmol. If so, How can I solve this problem and use packmol without any errors ? In this sense, I'm waiting for your help and also other people's help who have enough experience on PACKMOL package. Or I'm waiting for some alternative solutions of you related with LEAP.
Sincerely,
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| PMEMD implementation of SANDER, Release 10
| Run on 01/26/2009 at 15:55:22
[-O]verwriting output
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