[gmx-users] Re: How to merge 2 simulation boxes?
Vitaly V. Chaban
vvchaban at gmail.com
Fri Mar 26 07:40:04 CET 2010
>> Hi, everyone
>> I have two simulations which could run well separately. Now I want to place
>> the box of simulation A onto the box of simulation B. What should I do to
>> realise that?
>> I've tried to copy and paste the .gro and .top file together, but there are
>> several mistakes in grompp. I wonder if there are some better method to
>> merge 2 simulation boxes.
You probably have duplicate entries in the topollogy file. Remove the
Dr. Vitaly Chaban
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