AMBER: stripping water from a restart file

From: CHAMI F. <fatima.chami.durham.ac.uk>
Date: Wed, 22 Oct 2008 17:11:46 +0100

Dear Amber users,

I stripped water from a restart file using ptraj and I did the same with the topology file using rdparm.

I tried to run an MD simulation of my solute in vacuum but sander failed to read the modified restart file


any feedback please

best wishes
Fatima

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Received on Wed Oct 22 2008 - 19:58:58 PDT