[gmx-users] Problem with Lysozyme in Water Tutorial

Stephen P. Molnar s.molnar at sbcglobal.net
Mon Feb 2 18:16:17 CET 2015


I have installed v-5.0.4 in Debian Wheezy without any warning or erroe 
messages.

I have tried running the Lysozyme in Water Tutorial ( the one written 
for v-5) and have generated an error message in Step 4.

The message is:

File input/output error:
ions.mdp
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors

I checked the reference and did not find one [defaults] directive in the 
.itp file, let alone two

Pleas advise.

Thanks in advance.

-- 
Stephen P. Molnar, Ph.D.                 Life is a fuzzy set
Foundation for Chemistry                 Stochastic and Multivariate
www.FoundationForChemistry.com
(614)312-7528(c)
Skype:  smolnar1



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