AMBER Archive (2001)

Subject: Re: parallel sander

From: Yuguang Mu (ygmu_at_theochem.uni-frankfurt.de)
Date: Fri Jun 22 2001 - 01:43:07 CDT

Hi Thanks all,

Now we have solved this problem. It seems that we had not complie the amber
program in MPI correctly.

Have a nice day.

>>unknown flag: -p4pg
>> usage: sander [-O] -i mdin -o mdout -p prmtop -c inpcrd -r restrt
>> [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip
>>rstdip -mdip mddip -inf mdinfo -radii radii]

Yuguang