Re: [AMBER] stripping water

From: Ross Walker <ross.rosswalker.co.uk>
Date: Tue, 22 Jun 2010 22:14:28 -0700

> I have a question about strip :WAT, when I use this my rmsf if totally
> diffrent (very high rmsf with diffrent pattern) with the time that I
> dont use it.
> How could it be?

Are you using a prmtop file that also has the water stripped? Are you
calculating the RMSF for just the solute in both cases?

/\
\/
|\oss Walker

| Assistant Research Professor |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
| http://www.rosswalker.co.uk | http://www.wmd-lab.org/ |

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Received on Tue Jun 22 2010 - 22:30:07 PDT
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