AMBER Archive (2008)

Subject: AMBER: Problem in .parmtop file

From: sudipta sinha (sudipta.mml_at_gmail.com)
Date: Mon Jul 28 2008 - 10:30:09 CDT

Hi All,

         I have a simple query regarding .parmtop file. I have generated a
.parmtop file by amber leap program for run a simulation of TIP3P(rigid)
water box. But when have I checked the .parmtop file of that system, It was
showing no angle parameter. But actually the system has n(no of water
molecules) angle parameters. I have also checked for SPCE(flexible) water
box but it was showing similar thing. I am curious to know, why these angle
parameter topology informations are not showing? Are these informations
really compensate during simulation? I am eager for your early reply.

Thanks and regards
Sudipta

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